4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid

C13H10BrFN2O2 — CID 107592865

IUPAC4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(F)c(Br)cc1Nc1ccncc1C(=O)O
InChIInChI=1S/C13H10BrFN2O2/c1-7-4-10(15)9(14)5-12(7)17-11-2-3-16-6-8(11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMBONJGKKITZUNA-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.73
Rot. Bonds3

About 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid

4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid (PubChem CID 107592865) has the molecular formula C13H10BrFN2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
PubChem CID107592865
Molecular FormulaC13H10BrFN2O2
Molecular Weight325.14 g/mol
Exact Mass323.99
IUPAC Name4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(F)c(Br)cc1Nc1ccncc1C(=O)O
InChIInChI=1S/C13H10BrFN2O2/c1-7-4-10(15)9(14)5-12(7)17-11-2-3-16-6-8(11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyMBONJGKKITZUNA-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 103280869
5-amino-4-(5-bromo-4-fluoro-2-methylanilino)-2-fluorobenzoic acid
CID 107591034
N-(5-bromo-4-fluoro-2-methylphenyl)-3-chloropyridine-4-carboxamide
CID 103274622
4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414759
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430
2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid
CID 107592847
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244152

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid (CID 107592865) is 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid is Cc1cc(F)c(Br)cc1Nc1ccncc1C(=O)O.
What is the InChIKey of 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is MBONJGKKITZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O2/c1-7-4-10(15)9(14)5-12(7)17-11-2-3-16-6-8(11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid?
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 325.14 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 107592865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).