4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid

C16H15NO4 — CID 59634167

IUPAC4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid
SMILESCc1ccc(-c2cnc(C(=O)CCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C16H15NO4/c1-10-2-4-11(5-3-10)12-8-14(19)16(17-9-12)13(18)6-7-15(20)21/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)
InChIKeyNRVBBMDWLNDCNA-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.81
Rot. Bonds5

About 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid

4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid (PubChem CID 59634167) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid
PubChem CID59634167
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid
SMILESCc1ccc(-c2cnc(C(=O)CCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C16H15NO4/c1-10-2-4-11(5-3-10)12-8-14(19)16(17-9-12)13(18)6-7-15(20)21/h2-5,8-9,19H,6-7H2,1H3,(H,20,21)
InChIKeyNRVBBMDWLNDCNA-UHFFFAOYSA-N
XLogP2.81
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 59634166
4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,N-dimethyl-4-oxobutanamide;4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 161264557
4-[5-(3-chloro-2,4,5-trideuterio-6-methylphenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 158756644
1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione
CID 148501489
ethyl 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 157404899
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid
CID 24891735
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid
CID 59513097
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360
4-(3,5-dichloro-2-pyridinyl)-4-oxobutanoic acid
CID 79780666

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid?
The IUPAC name of 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid (CID 59634167) is 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid is Cc1ccc(-c2cnc(C(=O)CCC(=O)O)c(O)c2)cc1.
What is the InChIKey of 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid?
The InChIKey is NRVBBMDWLNDCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-2-4-11(5-3-10)12-8-14(19)16(17-9-12)13(18)6-7-15(20)21/h2-5,8-9,19H,6-7H2,1H3,(H,20,21).
What are the key properties of 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid?
4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid is sourced from PubChem (CID 59634167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).