3-(1H-indol-6-yl)pyridine-2-carboxylic acid

C14H10N2O2 — CID 175760025

IUPAC3-(1H-indol-6-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H10N2O2/c17-14(18)13-11(2-1-6-16-13)10-4-3-9-5-7-15-12(9)8-10/h1-8,15H,(H,17,18)
InChIKeyCPIKCNJCVIMAMX-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.93
Rot. Bonds2

About 3-(1H-indol-6-yl)pyridine-2-carboxylic acid

3-(1H-indol-6-yl)pyridine-2-carboxylic acid (PubChem CID 175760025) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indol-6-yl)pyridine-2-carboxylic acid
PubChem CID175760025
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-(1H-indol-6-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1-c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H10N2O2/c17-14(18)13-11(2-1-6-16-13)10-4-3-9-5-7-15-12(9)8-10/h1-8,15H,(H,17,18)
InChIKeyCPIKCNJCVIMAMX-UHFFFAOYSA-N
XLogP2.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1H-indol-6-yl)pyridine-2-carboxylic acid (CID 175760025) is 3-(1H-indol-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1H-indol-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1H-indol-6-yl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1-c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-indol-6-yl)pyridine-2-carboxylic acid?
The InChIKey is CPIKCNJCVIMAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)13-11(2-1-6-16-13)10-4-3-9-5-7-15-12(9)8-10/h1-8,15H,(H,17,18).
What are the key properties of 3-(1H-indol-6-yl)pyridine-2-carboxylic acid?
3-(1H-indol-6-yl)pyridine-2-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 175760025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).