1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid

C14H11ClFNO4 — CID 134290291

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(Cc2ccc(F)c(Cl)c2)c(C(=O)O)cc1=O
InChIInChI=1S/C14H11ClFNO4/c1-21-13-7-17(11(14(19)20)5-12(13)18)6-8-2-3-10(16)9(15)4-8/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeySLYQWKCQIUMRIR-UHFFFAOYSA-N
MW311.70 g/mol
LogP2.40
Rot. Bonds4

About 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid

1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 134290291) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
PubChem CID134290291
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCOc1cn(Cc2ccc(F)c(Cl)c2)c(C(=O)O)cc1=O
InChIInChI=1S/C14H11ClFNO4/c1-21-13-7-17(11(14(19)20)5-12(13)18)6-8-2-3-10(16)9(15)4-8/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeySLYQWKCQIUMRIR-UHFFFAOYSA-N
XLogP2.40
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid (CID 134290291) is 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid is COc1cn(Cc2ccc(F)c(Cl)c2)c(C(=O)O)cc1=O.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is SLYQWKCQIUMRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c1-21-13-7-17(11(14(19)20)5-12(13)18)6-8-2-3-10(16)9(15)4-8/h2-5,7H,6H2,1H3,(H,19,20).
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid?
1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 311.70 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-5-methoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 134290291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).