4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid

C14H13NO4 — CID 114207382

IUPAC4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESCc1ccc(Cn2c(C(=O)O)cc(O)cc2=O)cc1
InChIInChI=1S/C14H13NO4/c1-9-2-4-10(5-3-9)8-15-12(14(18)19)6-11(16)7-13(15)17/h2-7,16H,8H2,1H3,(H,18,19)
InChIKeyMQCPBOWGMWZIQN-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.61
Rot. Bonds3

About 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid

4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid (PubChem CID 114207382) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid
PubChem CID114207382
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESCc1ccc(Cn2c(C(=O)O)cc(O)cc2=O)cc1
InChIInChI=1S/C14H13NO4/c1-9-2-4-10(5-3-9)8-15-12(14(18)19)6-11(16)7-13(15)17/h2-7,16H,8H2,1H3,(H,18,19)
InChIKeyMQCPBOWGMWZIQN-UHFFFAOYSA-N
XLogP1.61
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207556
1-[(4-methylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylic acid
CID 123448058
4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207633
4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207480
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 91871540
4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxylic acid
CID 82028792
4-ethoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 42804741
8-ethyl-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947438
4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid
CID 114207490
1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 58306715
8-fluoro-1-[(4-methylphenyl)methyl]-2-oxoquinoline-6-carboxylic acid
CID 94947467
4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207651

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid (CID 114207382) is 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid is Cc1ccc(Cn2c(C(=O)O)cc(O)cc2=O)cc1.
What is the InChIKey of 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid?
The InChIKey is MQCPBOWGMWZIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-2-4-10(5-3-9)8-15-12(14(18)19)6-11(16)7-13(15)17/h2-7,16H,8H2,1H3,(H,18,19).
What are the key properties of 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid?
4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).