A1BDL

3-[(1H-pyrrol-1-yl)methyl]pyridine

Created:	2024-10-15
Last modified:	2024-10-30

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1 entries where A1BDL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	11

2D diagram of A1BDL

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Chemical Component Summary
Name	3-[(1H-pyrrol-1-yl)methyl]pyridine
Systematic Name (OpenEye OEToolkits)	3-(pyrrol-1-ylmethyl)pyridine
Formula	C₁₀ H₁₀ N₂
Molecular Weight	158.2
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	n1cc(Cn2cccc2)ccc1
SMILES	CACTVS	3.385	C(n1cccc1)c2cccnc2
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccn(c1)Cc2cccnc2
Canonical SMILES	CACTVS	3.385	C(n1cccc1)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccn(c1)Cc2cccnc2
InChI	InChI	1.06	InChI=1S/C10H10N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h1-8H,9H2
InChIKey	InChI	1.06	PJVWPGGKILHMKW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	697607

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.