4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid

C13H10BrFN2O2 — CID 84606236

IUPAC4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nccc(-c2cc(Br)ccc2F)c1C(=O)O
InChIInChI=1S/C13H10BrFN2O2/c1-16-12-11(13(18)19)8(4-5-17-12)9-6-7(14)2-3-10(9)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyTUFBYYAHMOQHBL-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.39
Rot. Bonds3

About 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid

4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid (PubChem CID 84606236) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
PubChem CID84606236
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid
SMILESCNc1nccc(-c2cc(Br)ccc2F)c1C(=O)O
InChIInChI=1S/C13H10BrFN2O2/c1-16-12-11(13(18)19)8(4-5-17-12)9-6-7(14)2-3-10(9)15/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyTUFBYYAHMOQHBL-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromo-2-fluorophenyl)-N-methylpyrimidin-2-amine
CID 116977034
3-(5-bromo-2-fluorophenyl)-2-methylbenzoic acid
CID 79743232
2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid
CID 116899938
6-(5-bromo-2-fluorophenyl)-N-methyl-5-nitropyrimidin-4-amine
CID 79742438
N-(5-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385053
2-(2,5-difluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 116864976
4-(5-bromo-2-fluorophenyl)-3-chlorobenzoic acid
CID 81308229
2-(5-bromo-2-fluorophenyl)phenol
CID 83128574
4-bromo-2-fluoro-6-(methylamino)benzoic acid
CID 90040369
4-(5-bromo-2-fluorophenyl)-N-methylaniline
CID 116962519
2-(5-bromo-2-fluorophenyl)-4-fluoropyridine
CID 102824499
5-(5-bromo-2-fluorophenyl)pyridine-3-carboxylic acid
CID 79743488

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid (CID 84606236) is 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid is CNc1nccc(-c2cc(Br)ccc2F)c1C(=O)O.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid?
The InChIKey is TUFBYYAHMOQHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c1-16-12-11(13(18)19)8(4-5-17-12)9-6-7(14)2-3-10(9)15/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid?
4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid has a molecular weight of 325.14 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 84606236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).