7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid

C9H7ClN2O2 — CID 130140372

IUPAC7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
SMILESCc1c[nH]c2c(Cl)ncc(C(=O)O)c12
InChIInChI=1S/C9H7ClN2O2/c1-4-2-11-7-6(4)5(9(13)14)3-12-8(7)10/h2-3,11H,1H3,(H,13,14)
InChIKeyHWAOUZKECVYUDQ-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.22
Rot. Bonds1

About 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid

7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid (PubChem CID 130140372) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
PubChem CID130140372
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
SMILESCc1c[nH]c2c(Cl)ncc(C(=O)O)c12
InChIInChI=1S/C9H7ClN2O2/c1-4-2-11-7-6(4)5(9(13)14)3-12-8(7)10/h2-3,11H,1H3,(H,13,14)
InChIKeyHWAOUZKECVYUDQ-UHFFFAOYSA-N
XLogP2.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-7-methyl-1H-indole-3-carboxylic acid
CID 131457272
potassium;1-(4-benzoylpiperazin-1-yl)-2-(7-chloro-4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione;2-(7-chloro-4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate;phenyl(piperazin-1-yl)methanone
CID 158838679
1,5-dichloroisoquinoline-4-carboxylic acid
CID 84703045
5,6-dichloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 118412477
(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate
CID 91514755
7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 133063787
4,6-dichloro-5-ethylpyridine-3-carboxylic acid
CID 118412182
2,4-dichloro-5-methylpyridine-3-carboxylic acid
CID 174770663
5-methylpyridine-2,4-dicarboxylic acid;hydrochloride
CID 156874397
7-amino-4-methoxy-3-methyl-1H-indole-5-carboxylic acid
CID 84685476
5-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 53412940
5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 53399605

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid?
The IUPAC name of 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid (CID 130140372) is 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid?
The canonical SMILES for 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid is Cc1c[nH]c2c(Cl)ncc(C(=O)O)c12.
What is the InChIKey of 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid?
The InChIKey is HWAOUZKECVYUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-4-2-11-7-6(4)5(9(13)14)3-12-8(7)10/h2-3,11H,1H3,(H,13,14).
What are the key properties of 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid?
7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid has a molecular weight of 210.62 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 130140372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).