4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid

C13H11NO3 — CID 53229197

IUPAC4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1-c1ccc(CO)cc1
InChIInChI=1S/C13H11NO3/c15-8-9-1-3-10(4-2-9)11-5-6-14-7-12(11)13(16)17/h1-7,15H,8H2,(H,16,17)
InChIKeyRSVKQIJIRSRBKX-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.94
Rot. Bonds3

About 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid

4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 53229197) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID53229197
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1-c1ccc(CO)cc1
InChIInChI=1S/C13H11NO3/c15-8-9-1-3-10(4-2-9)11-5-6-14-7-12(11)13(16)17/h1-7,15H,8H2,(H,16,17)
InChIKeyRSVKQIJIRSRBKX-UHFFFAOYSA-N
XLogP1.94
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597
4-(3,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 14182189
4-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741529
4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53229470
4-[4-[(5-phenyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid
CID 18700848
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
4-(3-phenylmethoxyphenyl)pyridine-3-carboxylic acid
CID 53229665
4-[4-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-3-carboxylic acid
CID 19976167
4-[4-[(2-butyl-5-ethyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid
CID 18701122
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
4-[4-[(5-butyl-2-pentyl-1,2,4-triazol-3-yl)methyl]phenyl]pyridine-3-carboxylic acid
CID 18700787

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid (CID 53229197) is 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cnccc1-c1ccc(CO)cc1.
What is the InChIKey of 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is RSVKQIJIRSRBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-8-9-1-3-10(4-2-9)11-5-6-14-7-12(11)13(16)17/h1-7,15H,8H2,(H,16,17).
What are the key properties of 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid?
4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53229197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).