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

C12H8Br3FN2 — CID 107593871

IUPAC3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
SMILESCc1cc(F)c(Br)cc1Nc1ncc(Br)cc1Br
InChIInChI=1S/C12H8Br3FN2/c1-6-2-10(16)8(14)4-11(6)18-12-9(15)3-7(13)5-17-12/h2-5H,1H3,(H,17,18)
InChIKeyBPYSNHPCZDPECC-UHFFFAOYSA-N
MW438.92 g/mol
LogP5.56
Rot. Bonds2

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

3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine (PubChem CID 107593871) has the molecular formula C12H8Br3FN2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
PubChem CID107593871
Molecular FormulaC12H8Br3FN2
Molecular Weight438.92 g/mol
Exact Mass435.82
IUPAC Name3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
SMILESCc1cc(F)c(Br)cc1Nc1ncc(Br)cc1Br
InChIInChI=1S/C12H8Br3FN2/c1-6-2-10(16)8(14)4-11(6)18-12-9(15)3-7(13)5-17-12/h2-5H,1H3,(H,17,18)
InChIKeyBPYSNHPCZDPECC-UHFFFAOYSA-N
XLogP5.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(2,4,6-trifluorophenyl)pyridin-2-amine
CID 113413846
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
CID 107590931
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one
CID 136697012
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 107594445
2-amino-5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 107593897
N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 107593334
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
N-(5-bromo-4-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107591814
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 107594461
(5-bromo-4-fluoro-2-methylphenyl)hydrazine;ethane
CID 156888399

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine (CID 107593871) is 3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine is Cc1cc(F)c(Br)cc1Nc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine?
The InChIKey is BPYSNHPCZDPECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3FN2/c1-6-2-10(16)8(14)4-11(6)18-12-9(15)3-7(13)5-17-12/h2-5H,1H3,(H,17,18).
What are the key properties of 3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine?
3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine has a molecular weight of 438.92 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 107593871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).