1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

C14H12ClNO3 — CID 82124199

IUPAC1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-n2c(C)ccc(C(=O)O)c2=O)cc1Cl
InChIInChI=1S/C14H12ClNO3/c1-8-3-5-10(7-12(8)15)16-9(2)4-6-11(13(16)17)14(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyRYPSIPKBYUQJEG-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.81
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82124199) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID82124199
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(-n2c(C)ccc(C(=O)O)c2=O)cc1Cl
InChIInChI=1S/C14H12ClNO3/c1-8-3-5-10(7-12(8)15)16-9(2)4-6-11(13(16)17)14(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyRYPSIPKBYUQJEG-UHFFFAOYSA-N
XLogP2.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124840
3-(3-chloro-4-methylphenyl)-4-methyl-1H-imidazol-2-one
CID 81445596
2-[1-(3-chloro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
CID 3039305
2-chloro-5-(2,3,5-trimethylpyrrol-1-yl)benzoic acid
CID 123317683
1-(3-chloro-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 646296
2-chloro-5-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
CID 846101
1-(3-chloro-4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 28606324
5-amino-1-(3-chloro-4-methylphenyl)pyrazole-4-carboxylic acid
CID 79018726
1-(3-chloro-4-methylphenyl)-N-[(4-chlorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide;1-(3-chloro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide;1-(3-chlorophenyl)-6-methyl-2-oxo-N-[(4-sulfamoylphenyl)methyl]pyridine-3-carboxamide
CID 87957821
2-(3,4-dichlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 97058328
1-(3-chloro-4-methylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 18802040
4-(3-chloro-4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898417

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 82124199) is 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(-n2c(C)ccc(C(=O)O)c2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is RYPSIPKBYUQJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-3-5-10(7-12(8)15)16-9(2)4-6-11(13(16)17)14(18)19/h3-7H,1-2H3,(H,18,19).
What are the key properties of 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82124199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).