5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid

C14H10Br2FNO3 — CID 58360742

IUPAC5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1c(Cc2ccc(Br)cc2F)c(C(=O)O)cc(Br)c1=O
InChIInChI=1S/C14H10Br2FNO3/c1-18-12(4-7-2-3-8(15)5-11(7)17)9(14(20)21)6-10(16)13(18)19/h2-3,5-6H,4H2,1H3,(H,20,21)
InChIKeyOAQMPFIQNFQHFU-UHFFFAOYSA-N
MW419.04 g/mol
LogP3.34
Rot. Bonds3

About 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid

5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid (PubChem CID 58360742) has the molecular formula C14H10Br2FNO3 and a molecular weight of 419.04 g/mol. Its IUPAC name is 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
PubChem CID58360742
Molecular FormulaC14H10Br2FNO3
Molecular Weight419.04 g/mol
Exact Mass416.90
IUPAC Name5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1c(Cc2ccc(Br)cc2F)c(C(=O)O)cc(Br)c1=O
InChIInChI=1S/C14H10Br2FNO3/c1-18-12(4-7-2-3-8(15)5-11(7)17)9(14(20)21)6-10(16)13(18)19/h2-3,5-6H,4H2,1H3,(H,20,21)
InChIKeyOAQMPFIQNFQHFU-UHFFFAOYSA-N
XLogP3.34
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.04
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 58110786
2-[(4-Bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
CID 58360697
Methyl 2-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-1-methyl-6-oxopyridine-3-carboxylate
CID 58360701
Methyl 2-[(4-bromo-2-fluorophenyl)methyl]-5-chloro-1-methyl-6-oxopyridine-3-carboxylate
CID 58360800
2-[(4-bromo-2-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 58360809
Methyl 2-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylate
CID 58360839
5-Fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
CID 159875518
2-[(2-Fluoro-4-iodophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid
CID 161926472
1-[(1R)-1-(4-bromo-3-fluorophenyl)ethyl]-4-hydroxy-6-methylpyridin-2-one
CID 170763414
2-(4-Fluorophenyl)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 174881381
1-[(2-Bromo-4-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 29269082
1-[(5-Bromo-2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 29555745

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid (CID 58360742) is 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid is Cn1c(Cc2ccc(Br)cc2F)c(C(=O)O)cc(Br)c1=O.
What is the InChIKey of 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is OAQMPFIQNFQHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2FNO3/c1-18-12(4-7-2-3-8(15)5-11(7)17)9(14(20)21)6-10(16)13(18)19/h2-3,5-6H,4H2,1H3,(H,20,21).
What are the key properties of 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid?
5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 419.04 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-bromo-2-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 58360742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).