5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid

C15H12N2O3 — CID 175952620

IUPAC5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(O)ccc2n1Cc1ccccn1
InChIInChI=1S/C15H12N2O3/c18-12-4-5-13-10(7-12)8-14(15(19)20)17(13)9-11-3-1-2-6-16-11/h1-8,18H,9H2,(H,19,20)
InChIKeyFMHXBKSGQOKIQI-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.49
Rot. Bonds3

About 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid

5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid (PubChem CID 175952620) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
PubChem CID175952620
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(O)ccc2n1Cc1ccccn1
InChIInChI=1S/C15H12N2O3/c18-12-4-5-13-10(7-12)8-14(15(19)20)17(13)9-11-3-1-2-6-16-11/h1-8,18H,9H2,(H,19,20)
InChIKeyFMHXBKSGQOKIQI-UHFFFAOYSA-N
XLogP2.49
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid?
The IUPAC name of 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid (CID 175952620) is 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid is O=C(O)c1cc2cc(O)ccc2n1Cc1ccccn1.
What is the InChIKey of 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid?
The InChIKey is FMHXBKSGQOKIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-12-4-5-13-10(7-12)8-14(15(19)20)17(13)9-11-3-1-2-6-16-11/h1-8,18H,9H2,(H,19,20).
What are the key properties of 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid?
5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid is sourced from PubChem (CID 175952620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).