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

C12H9BrCl2N2 — CID 114836581

IUPAC3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
SMILESCc1ccc(Nc2ncc(Cl)cc2Br)cc1Cl
InChIInChI=1S/C12H9BrCl2N2/c1-7-2-3-9(5-11(7)15)17-12-10(13)4-8(14)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyYRHCGXXIWZMKQE-UHFFFAOYSA-N
MW332.03 g/mol
LogP5.20
Rot. Bonds2

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

3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine (PubChem CID 114836581) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
PubChem CID114836581
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC Name3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
SMILESCc1ccc(Nc2ncc(Cl)cc2Br)cc1Cl
InChIInChI=1S/C12H9BrCl2N2/c1-7-2-3-9(5-11(7)15)17-12-10(13)4-8(14)6-16-12/h2-6H,1H3,(H,16,17)
InChIKeyYRHCGXXIWZMKQE-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.03
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-bromo-5-chloro-2-pyridinyl)benzene-1,3-diamine
CID 114835563
5-[(3-bromo-5-chloro-2-pyridinyl)amino]-2-methylisoindole-1,3-dione
CID 114836563
3-bromo-5-chloro-N-(2,4-dichlorophenyl)pyridin-2-amine
CID 114836558
5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 107616385
N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine
CID 114836575
3-bromo-5-chloro-N-(4-methyl-3-pyridinyl)pyridin-2-amine
CID 114837095
3-bromo-5-chloro-N-(3,5-difluorophenyl)pyridin-2-amine
CID 114836633
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
3-bromo-5-chloro-N-thiophen-3-ylpyridin-2-amine
CID 114837216
N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine
CID 114838670
3-bromo-5-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 114837222
3-bromo-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-2-amine
CID 114836561

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine (CID 114836581) is 3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine is Cc1ccc(Nc2ncc(Cl)cc2Br)cc1Cl.
What is the InChIKey of 3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine?
The InChIKey is YRHCGXXIWZMKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c1-7-2-3-9(5-11(7)15)17-12-10(13)4-8(14)6-16-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine?
3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine has a molecular weight of 332.03 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 114836581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).