4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid

C15H13NO4 — CID 158981146

IUPAC4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccnc(C(=O)O)c1)Cc1ccccc1O
InChIInChI=1S/C15H13NO4/c17-12(9-11-3-1-2-4-14(11)18)7-10-5-6-16-13(8-10)15(19)20/h1-6,8,18H,7,9H2,(H,19,20)
InChIKeyJPACQMBQDBPBLY-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.84
Rot. Bonds5

About 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid

4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid (PubChem CID 158981146) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid
PubChem CID158981146
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid
SMILESO=C(Cc1ccnc(C(=O)O)c1)Cc1ccccc1O
InChIInChI=1S/C15H13NO4/c17-12(9-11-3-1-2-4-14(11)18)7-10-5-6-16-13(8-10)15(19)20/h1-6,8,18H,7,9H2,(H,19,20)
InChIKeyJPACQMBQDBPBLY-UHFFFAOYSA-N
XLogP1.84
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)pyridine-2-carboxylic acid;hydrochloride
CID 139035417
N-tert-butyl-4-[3-(2-chloro-3-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxamide
CID 158103728
4-(methylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63884403
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
4-[3-[2-deuterio-6-fluoro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3-methoxyphenyl]-2-oxopropyl]pyridine-2-carboxylic acid
CID 167572616
4-docosylpyridine-2-carboxylic acid
CID 174759337
4-(tert-butylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63883811
4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 158711552
4-[3-[2-hydroxy-5-(trifluoromethyl)phenyl]-2-oxopropyl]-N-(2-methylbut-3-yn-2-yl)pyridine-2-carboxamide
CID 158980903
4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 161153250
4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyridine-2-carboxamide
CID 161450408
1,3-diphenyl(213C)propan-2-one
CID 100945080

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid (CID 158981146) is 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid is O=C(Cc1ccnc(C(=O)O)c1)Cc1ccccc1O.
What is the InChIKey of 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid?
The InChIKey is JPACQMBQDBPBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-12(9-11-3-1-2-4-14(11)18)7-10-5-6-16-13(8-10)15(19)20/h1-6,8,18H,7,9H2,(H,19,20).
What are the key properties of 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid?
4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 158981146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).