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

C8H5ClN2O2 — CID 133063787

IUPAC7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cl)cncc12
InChIInChI=1S/C8H5ClN2O2/c9-6-3-10-1-4-5(8(12)13)2-11-7(4)6/h1-3,11H,(H,12,13)
InChIKeyJMZKYRWVIBYESX-UHFFFAOYSA-N
MW196.59 g/mol
LogP1.91
Rot. Bonds1

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

7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid (PubChem CID 133063787) has the molecular formula C8H5ClN2O2 and a molecular weight of 196.59 g/mol. Its IUPAC name is 7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
PubChem CID133063787
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59 g/mol
Exact Mass196.00
IUPAC Name7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2c(Cl)cncc12
InChIInChI=1S/C8H5ClN2O2/c9-6-3-10-1-4-5(8(12)13)2-11-7(4)6/h1-3,11H,(H,12,13)
InChIKeyJMZKYRWVIBYESX-UHFFFAOYSA-N
XLogP1.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.59
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 133058495
7-fluoro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 53413169
8-fluoro-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941662
8-iodo-4-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 102941658
5,7-dichloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 53399605
6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532027
6-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 178093253
8-bromo-7-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 103481174
4-chloro-7-methyl-1H-indole-3-carboxylic acid
CID 131457272
4-chloro-1H-pyrrole-3-carboxylic acid
CID 82417743
7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
CID 130140372
5-chloro-4-piperazin-1-ylpyridine-3-carboxylic acid;piperazine
CID 173176420

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid?
The IUPAC name of 7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid (CID 133063787) is 7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid?
The canonical SMILES for 7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid is O=C(O)c1c[nH]c2c(Cl)cncc12.
What is the InChIKey of 7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid?
The InChIKey is JMZKYRWVIBYESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2/c9-6-3-10-1-4-5(8(12)13)2-11-7(4)6/h1-3,11H,(H,12,13).
What are the key properties of 7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid?
7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid has a molecular weight of 196.59 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 133063787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).