C9E

Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate

Created:	2017-11-23
Last modified:	2018-03-07

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1 entries where C9E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	10

2D diagram of C9E

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Chemical Component Summary
Name	Ethyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate
Systematic Name (OpenEye OEToolkits)	ethyl 1~{H}-pyrrolo[2,3-b]pyridine-4-carboxylate
Formula	C₁₀ H₁₀ N₂ O₂
Molecular Weight	190.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOC(=O)c1ccnc2[nH]ccc12
SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)c1ccnc2c1cc[nH]2
Canonical SMILES	CACTVS	3.385	CCOC(=O)c1ccnc2[nH]ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCOC(=O)c1ccnc2c1cc[nH]2
InChI	InChI	1.03	InChI=1S/C10H10N2O2/c1-2-14-10(13)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)
InChIKey	InChI	1.03	CKCBQXQNAUHBDX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56773892
ChEMBL	CHEMBL4087054

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