2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid

C13H8N2O3 — CID 135567036

IUPAC2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid
SMILESN#Cc1ccc(O)c(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C13H8N2O3/c14-7-8-1-2-12(16)10(5-8)11-6-9(13(17)18)3-4-15-11/h1-6,16H,(H,17,18)
InChIKeyNARDFYYIAAFALG-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.02
Rot. Bonds2

About 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid

2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid (PubChem CID 135567036) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid
PubChem CID135567036
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid
SMILESN#Cc1ccc(O)c(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C13H8N2O3/c14-7-8-1-2-12(16)10(5-8)11-6-9(13(17)18)3-4-15-11/h1-6,16H,(H,17,18)
InChIKeyNARDFYYIAAFALG-UHFFFAOYSA-N
XLogP2.02
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Phenopicolinic acid
CID 3043792
(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
(E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5356048
4-(2-Pyridyl)Benzoic Acid
CID 821692
2-[5-[(4-Hydroxyphenyl)carbonylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567041
CA standard inhibitor, 2
CID 19564789
1-(2-Hydroxyphenyl)-3-(4-pyridinyl)-1-propanone
CID 44204990
1-(2-Hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 241787
(4-Hydroxyphenyl)-2-pyridinylmethanone
CID 36317
2-Phenylisonicotinic acid
CID 2762845
2-(5-Azanyl-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid
CID 135567039
2-(5-Acetamido-2-Oxidanyl-Phenyl)pyridine-4-Carboxylic Acid
CID 135567040

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid (CID 135567036) is 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid is N#Cc1ccc(O)c(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid?
The InChIKey is NARDFYYIAAFALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c14-7-8-1-2-12(16)10(5-8)11-6-9(13(17)18)3-4-15-11/h1-6,16H,(H,17,18).
What are the key properties of 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid?
2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-hydroxyphenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 135567036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).