6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

C14H10BrFN2O3 — CID 104780403

IUPAC6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ccc(F)c(Br)c2)ccc1C(=O)O
InChIInChI=1S/C14H10BrFN2O3/c1-7-9(14(20)21)3-5-12(17-7)13(19)18-8-2-4-11(16)10(15)6-8/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyOABKDWSYPFIPHZ-UHFFFAOYSA-N
MW353.15 g/mol
LogP3.24
Rot. Bonds3

About 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 104780403) has the molecular formula C14H10BrFN2O3 and a molecular weight of 353.15 g/mol. Its IUPAC name is 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID104780403
Molecular FormulaC14H10BrFN2O3
Molecular Weight353.15 g/mol
Exact Mass351.99
IUPAC Name6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ccc(F)c(Br)c2)ccc1C(=O)O
InChIInChI=1S/C14H10BrFN2O3/c1-7-9(14(20)21)3-5-12(17-7)13(19)18-8-2-4-11(16)10(15)6-8/h2-6H,1H3,(H,18,19)(H,20,21)
InChIKeyOABKDWSYPFIPHZ-UHFFFAOYSA-N
XLogP3.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.15
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-bromo-4-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 63334423
6-[(4-bromo-3-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453090
6-[(2-bromo-5-chlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 81280144
6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 107577295
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453082
2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 66353771
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
6-[(3-ethynylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453019
2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43453127
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 104780403) is 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1nc(C(=O)Nc2ccc(F)c(Br)c2)ccc1C(=O)O.
What is the InChIKey of 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is OABKDWSYPFIPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O3/c1-7-9(14(20)21)3-5-12(17-7)13(19)18-8-2-4-11(16)10(15)6-8/h2-6H,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 353.15 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 104780403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).