4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid

C9H8N2O3 — CID 155544135

IUPAC4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]ccc2c(CO)n1
InChIInChI=1S/C9H8N2O3/c12-4-8-5-1-2-10-6(5)3-7(11-8)9(13)14/h1-3,10,12H,4H2,(H,13,14)
InChIKeyVOSMKCSLGUDFMC-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.75
Rot. Bonds2

About 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid

4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid (PubChem CID 155544135) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid
PubChem CID155544135
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2[nH]ccc2c(CO)n1
InChIInChI=1S/C9H8N2O3/c12-4-8-5-1-2-10-6(5)3-7(11-8)9(13)14/h1-3,10,12H,4H2,(H,13,14)
InChIKeyVOSMKCSLGUDFMC-UHFFFAOYSA-N
XLogP0.75
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-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

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid (CID 155544135) is 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid is O=C(O)c1cc2[nH]ccc2c(CO)n1.
What is the InChIKey of 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is VOSMKCSLGUDFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-4-8-5-1-2-10-6(5)3-7(11-8)9(13)14/h1-3,10,12H,4H2,(H,13,14).
What are the key properties of 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid?
4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1H-pyrrolo[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 155544135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).