5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine

C12H9Br2ClN2 — CID 107616385

IUPAC5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H9Br2ClN2/c1-7-4-8(13)6-16-12(7)17-9-2-3-10(14)11(15)5-9/h2-6H,1H3,(H,16,17)
InChIKeyNFUZZULWFXEIAD-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.31
Rot. Bonds2

About 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine

5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine (PubChem CID 107616385) has the molecular formula C12H9Br2ClN2 and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
PubChem CID107616385
Molecular FormulaC12H9Br2ClN2
Molecular Weight376.48 g/mol
Exact Mass373.88
IUPAC Name5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H9Br2ClN2/c1-7-4-8(13)6-16-12(7)17-9-2-3-10(14)11(15)5-9/h2-6H,1H3,(H,16,17)
InChIKeyNFUZZULWFXEIAD-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
CID 55188251
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 114836581
5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 84609052
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyridin-2-amine
CID 84604425
5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
CID 115148422
5-bromo-N-(2-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 103481305
5-bromo-N-(4-bromo-3-chlorophenyl)pyridin-3-amine
CID 107615000
5-bromo-2-N-(3-chloro-4-fluorophenyl)pyridine-2,3-diamine
CID 61227501
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097
3,5-dibromo-N-(4-chloro-3-methoxyphenyl)pyridin-2-amine
CID 107622964
4-N-(4-bromo-3-chlorophenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 107617897
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine (CID 107616385) is 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine is Cc1cc(Br)cnc1Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine?
The InChIKey is NFUZZULWFXEIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2/c1-7-4-8(13)6-16-12(7)17-9-2-3-10(14)11(15)5-9/h2-6H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine?
5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine has a molecular weight of 376.48 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 107616385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).