1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

C14H11ClFNO3 — CID 103047010

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H11ClFNO3/c1-8-2-4-11(14(19)20)13(18)17(8)7-9-6-10(15)3-5-12(9)16/h2-6H,7H2,1H3,(H,19,20)
InChIKeyYKWMJDLAUZTOAU-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.70
Rot. Bonds3

About 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 103047010) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID103047010
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1Cc1cc(Cl)ccc1F
InChIInChI=1S/C14H11ClFNO3/c1-8-2-4-11(14(19)20)13(18)17(8)7-9-6-10(15)3-5-12(9)16/h2-6H,7H2,1H3,(H,19,20)
InChIKeyYKWMJDLAUZTOAU-UHFFFAOYSA-N
XLogP2.70
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82918916
1-[(2-bromophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62876195
1-[(5-ethylthiophen-2-yl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62875875
6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid
CID 62876183
6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 62875870
1-but-3-ynyl-6-methyl-2-oxopyridine-3-carboxylic acid
CID 63656074
1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 66188762
1-[(5-chloro-2-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114866930
3-[(5-chloro-2-fluorophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 102974838
1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073648
1-[(5-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 114867000
1-[(4-chlorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 29037309

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (CID 103047010) is 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is YKWMJDLAUZTOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-8-2-4-11(14(19)20)13(18)17(8)7-9-6-10(15)3-5-12(9)16/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 295.70 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 103047010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).