6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid

C10H11NO3 — CID 139349447

IUPAC6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CO)c(C2CC2)n1
InChIInChI=1S/C10H11NO3/c12-5-7-3-4-8(10(13)14)11-9(7)6-1-2-6/h3-4,6,12H,1-2,5H2,(H,13,14)
InChIKeyCXVQXDFRCBHZNN-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.15
Rot. Bonds3

About 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid

6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid (PubChem CID 139349447) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid
PubChem CID139349447
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CO)c(C2CC2)n1
InChIInChI=1S/C10H11NO3/c12-5-7-3-4-8(10(13)14)11-9(7)6-1-2-6/h3-4,6,12H,1-2,5H2,(H,13,14)
InChIKeyCXVQXDFRCBHZNN-UHFFFAOYSA-N
XLogP1.15
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyl-5-(hydroxymethyl)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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid (CID 139349447) is 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(CO)c(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid?
The InChIKey is CXVQXDFRCBHZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-5-7-3-4-8(10(13)14)11-9(7)6-1-2-6/h3-4,6,12H,1-2,5H2,(H,13,14).
What are the key properties of 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid?
6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-(hydroxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 139349447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).