5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid

C13H11NO3 — CID 3043792

IUPAC5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2ccc(O)cc2)cn1
InChIInChI=1S/C13H11NO3/c15-11-4-1-9(2-5-11)7-10-3-6-12(13(16)17)14-8-10/h1-6,8,15H,7H2,(H,16,17)
InChIKeySJBFZHNCSGBLEK-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.08
Rot. Bonds3

About 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid

5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid (PubChem CID 3043792) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid
PubChem CID3043792
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Cc2ccc(O)cc2)cn1
InChIInChI=1S/C13H11NO3/c15-11-4-1-9(2-5-11)7-10-3-6-12(13(16)17)14-8-10/h1-6,8,15H,7H2,(H,16,17)
InChIKeySJBFZHNCSGBLEK-UHFFFAOYSA-N
XLogP2.08
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid (CID 3043792) is 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(Cc2ccc(O)cc2)cn1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid?
The InChIKey is SJBFZHNCSGBLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11-4-1-9(2-5-11)7-10-3-6-12(13(16)17)14-8-10/h1-6,8,15H,7H2,(H,16,17).
What are the key properties of 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid?
5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 3043792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).