3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine

C12H9BrF2N2 — CID 103587184

IUPAC3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
SMILESCc1cc(F)c(Nc2ccncc2Br)cc1F
InChIInChI=1S/C12H9BrF2N2/c1-7-4-10(15)12(5-9(7)14)17-11-2-3-16-6-8(11)13/h2-6H,1H3,(H,16,17)
InChIKeyLXDGFVJVDIMMSD-UHFFFAOYSA-N
MW299.12 g/mol
LogP4.17
Rot. Bonds2

About 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine

3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine (PubChem CID 103587184) has the molecular formula C12H9BrF2N2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
PubChem CID103587184
Molecular FormulaC12H9BrF2N2
Molecular Weight299.12 g/mol
Exact Mass297.99
IUPAC Name3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
SMILESCc1cc(F)c(Nc2ccncc2Br)cc1F
InChIInChI=1S/C12H9BrF2N2/c1-7-4-10(15)12(5-9(7)14)17-11-2-3-16-6-8(11)13/h2-6H,1H3,(H,16,17)
InChIKeyLXDGFVJVDIMMSD-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
CID 102854834
3-bromo-N-(2,5-dimethylphenyl)pyridin-4-amine
CID 104777947
3-bromo-N-(3,5-difluorophenyl)pyridin-4-amine
CID 104777967
3-bromo-N-(5-methyl-3-pyridinyl)pyridin-4-amine
CID 107586507
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
3-bromo-N-(2-methylsulfanylphenyl)pyridin-4-amine
CID 107645873
3-bromo-N-(3-chloro-4-fluorophenyl)pyridin-4-amine
CID 104776772
3-bromo-N-phenylpyridin-4-amine
CID 10634327
3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
CID 104777887
5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 103587907
3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine
CID 104777924
4-bromo-2-(2,5-difluoro-4-methylanilino)benzonitrile
CID 103586124

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine (CID 103587184) is 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine is Cc1cc(F)c(Nc2ccncc2Br)cc1F.
What is the InChIKey of 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine?
The InChIKey is LXDGFVJVDIMMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N2/c1-7-4-10(15)12(5-9(7)14)17-11-2-3-16-6-8(11)13/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine?
3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine has a molecular weight of 299.12 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine is sourced from PubChem (CID 103587184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).