1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid

C14H12FNO3 — CID 82121582

IUPAC1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cn(-c2cccc(F)c2)c(=O)c(C(=O)O)c1C
InChIInChI=1S/C14H12FNO3/c1-8-7-16(11-5-3-4-10(15)6-11)13(17)12(9(8)2)14(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyWZKPYOARSOKZNR-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.29
Rot. Bonds2

About 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid

1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82121582) has the molecular formula C14H12FNO3 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID82121582
Molecular FormulaC14H12FNO3
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cn(-c2cccc(F)c2)c(=O)c(C(=O)O)c1C
InChIInChI=1S/C14H12FNO3/c1-8-7-16(11-5-3-4-10(15)6-11)13(17)12(9(8)2)14(18)19/h3-7H,1-2H3,(H,18,19)
InChIKeyWZKPYOARSOKZNR-UHFFFAOYSA-N
XLogP2.29
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid (CID 82121582) is 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1cn(-c2cccc(F)c2)c(=O)c(C(=O)O)c1C.
What is the InChIKey of 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is WZKPYOARSOKZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO3/c1-8-7-16(11-5-3-4-10(15)6-11)13(17)12(9(8)2)14(18)19/h3-7H,1-2H3,(H,18,19).
What are the key properties of 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid?
1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 261.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4,5-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82121582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).