3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

C15H12N2O3S — CID 152763783

IUPAC3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCOc1cccc(Sc2c(C(=O)O)[nH]c3cccnc23)c1
InChIInChI=1S/C15H12N2O3S/c1-20-9-4-2-5-10(8-9)21-14-12-11(6-3-7-16-12)17-13(14)15(18)19/h2-8,17H,1H3,(H,18,19)
InChIKeyHYLIKWAACGKOEZ-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.42
Rot. Bonds4

About 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 152763783) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID152763783
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCOc1cccc(Sc2c(C(=O)O)[nH]c3cccnc23)c1
InChIInChI=1S/C15H12N2O3S/c1-20-9-4-2-5-10(8-9)21-14-12-11(6-3-7-16-12)17-13(14)15(18)19/h2-8,17H,1H3,(H,18,19)
InChIKeyHYLIKWAACGKOEZ-UHFFFAOYSA-N
XLogP3.42
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(trifluoromethoxy)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 67261712
3-(3-nitrophenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 11404240
[3-[3-(trifluoromethoxy)phenyl]sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] N-methylcarbamate
CID 68889554
[3-(3-methylphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridin-2-yl] carbamate
CID 68890010
3-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 84662505
5-chloro-3-(3,5-dimethoxyphenyl)sulfanyl-1H-indole-2-carboxylic acid
CID 11545071
dimethyl 4-oxo-1H-1,5-naphthyridine-2,3-dicarboxylate
CID 58929029
1-[2-(3-methoxyphenyl)sulfanyl-1,3-thiazol-5-yl]ethanone
CID 118352312
6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 22513802
4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 113368207
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
CID 43187698
4-hydroxy-5-(3-methoxyphenyl)sulfanyl-3H-1,3-thiazol-2-one
CID 90975566

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 152763783) is 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is COc1cccc(Sc2c(C(=O)O)[nH]c3cccnc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is HYLIKWAACGKOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-20-9-4-2-5-10(8-9)21-14-12-11(6-3-7-16-12)17-13(14)15(18)19/h2-8,17H,1H3,(H,18,19).
What are the key properties of 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?
3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 152763783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).