4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid

C16H14N2O2 — CID 63885355

IUPAC4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1ccc2ccn(Cc3ccnc(C(=O)O)c3)c2c1
InChIInChI=1S/C16H14N2O2/c1-11-2-3-13-5-7-18(15(13)8-11)10-12-4-6-17-14(9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyZHAUYQKXWOFUEZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.09
Rot. Bonds3

About 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid

4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 63885355) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID63885355
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1ccc2ccn(Cc3ccnc(C(=O)O)c3)c2c1
InChIInChI=1S/C16H14N2O2/c1-11-2-3-13-5-7-18(15(13)8-11)10-12-4-6-17-14(9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyZHAUYQKXWOFUEZ-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(6-methylindol-1-yl)methyl]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 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid (CID 63885355) is 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid is Cc1ccc2ccn(Cc3ccnc(C(=O)O)c3)c2c1.
What is the InChIKey of 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is ZHAUYQKXWOFUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-2-3-13-5-7-18(15(13)8-11)10-12-4-6-17-14(9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid?
4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63885355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).