5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid

C14H9FN2O3 — CID 82123931

IUPAC5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2[nH]c(=O)c(C#N)cc2C(=O)O)ccc1F
InChIInChI=1S/C14H9FN2O3/c1-7-4-8(2-3-11(7)15)12-10(14(19)20)5-9(6-16)13(18)17-12/h2-5H,1H3,(H,17,18)(H,19,20)
InChIKeyMNYCDVDLOUOVMH-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.06
Rot. Bonds2

About 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid

5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 82123931) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID82123931
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1cc(-c2[nH]c(=O)c(C#N)cc2C(=O)O)ccc1F
InChIInChI=1S/C14H9FN2O3/c1-7-4-8(2-3-11(7)15)12-10(14(19)20)5-9(6-16)13(18)17-12/h2-5H,1H3,(H,17,18)(H,19,20)
InChIKeyMNYCDVDLOUOVMH-UHFFFAOYSA-N
XLogP2.06
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53222871
4-cyano-5-fluoro-2-methylbenzoic acid
CID 130980145
5-cyano-3-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 82410221
5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 14490482
6-(3-fluorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 114872883
2-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid;2-(4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 158576991
5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 82119661
2-cyclopropyl-5-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-carboxylic acid
CID 82089784
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 142818982
6-amino-5-cyano-2-oxo-1H-pyridine-3-carboxylic acid
CID 89110306
3-(4-fluoro-3-methylphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 116864179
5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
CID 135018572

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 82123931) is 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid is Cc1cc(-c2[nH]c(=O)c(C#N)cc2C(=O)O)ccc1F.
What is the InChIKey of 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is MNYCDVDLOUOVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c1-7-4-8(2-3-11(7)15)12-10(14(19)20)5-9(6-16)13(18)17-12/h2-5H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid?
5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-(4-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 82123931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).