6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid

C9H7ClN2O2 — CID 169264396

IUPAC6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCn1ccc2cc(C(=O)O)c(Cl)nc21
InChIInChI=1S/C9H7ClN2O2/c1-12-3-2-5-4-6(9(13)14)7(10)11-8(5)12/h2-4H,1H3,(H,13,14)
InChIKeyAXWWGFNEPYQCIG-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.92
Rot. Bonds1

About 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid

6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 169264396) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
PubChem CID169264396
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILESCn1ccc2cc(C(=O)O)c(Cl)nc21
InChIInChI=1S/C9H7ClN2O2/c1-12-3-2-5-4-6(9(13)14)7(10)11-8(5)12/h2-4H,1H3,(H,13,14)
InChIKeyAXWWGFNEPYQCIG-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 169206112
6-chloro-1-phenylsulfanylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 155733063
1-(benzenesulfonyl)-6-chloropyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 155342158
1,5-dimethylindole-7-carboxylic acid
CID 83946044
2,6,7-trichloroquinoline-3-carboxylic acid
CID 22341156
2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
CID 118560478
5-amino-1-methylindole-7-carboxylic acid
CID 83483770
2-chloro-6-fluoro-8-methylquinoline-3-carboxylic acid
CID 114553225
1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 141014223
2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82121831
6-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83668537
6-(tert-butylamino)-2-chloropyridine-3-carboxylic acid
CID 156695510

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 169264396) is 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid is Cn1ccc2cc(C(=O)O)c(Cl)nc21.
What is the InChIKey of 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is AXWWGFNEPYQCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-12-3-2-5-4-6(9(13)14)7(10)11-8(5)12/h2-4H,1H3,(H,13,14).
What are the key properties of 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid?
6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 210.62 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 169264396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).