3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine

C12H15BrCl2N2 — CID 102637773

IUPAC3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
SMILESCN(c1ncc(Cl)cc1Br)C1CCCCC1Cl
InChIInChI=1S/C12H15BrCl2N2/c1-17(11-5-3-2-4-10(11)15)12-9(13)6-8(14)7-16-12/h6-7,10-11H,2-5H2,1H3
InChIKeyHPHJZOVPJRVIHX-UHFFFAOYSA-N
MW338.08 g/mol
LogP4.48
Rot. Bonds2

About 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine

3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine (PubChem CID 102637773) has the molecular formula C12H15BrCl2N2 and a molecular weight of 338.08 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
PubChem CID102637773
Molecular FormulaC12H15BrCl2N2
Molecular Weight338.08 g/mol
Exact Mass335.98
IUPAC Name3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
SMILESCN(c1ncc(Cl)cc1Br)C1CCCCC1Cl
InChIInChI=1S/C12H15BrCl2N2/c1-17(11-5-3-2-4-10(11)15)12-9(13)6-8(14)7-16-12/h6-7,10-11H,2-5H2,1H3
InChIKeyHPHJZOVPJRVIHX-UHFFFAOYSA-N
XLogP4.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 114836828
3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 102637871
2-[(3,5-dibromo-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635970
3-bromo-2-N-methyl-2-N-(2-methylcyclohexyl)pyridine-2,5-diamine
CID 79535351
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
2-[(3-bromo-5-chloro-2-pyridinyl)-cyclohexylamino]ethanol
CID 114836476
3-bromo-N-cyclohexyl-N,5-dimethylpyridin-2-amine
CID 105367626
3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine
CID 114838596
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-cyclobutylethane-1,2-diamine
CID 102874697
N-(2-chlorocyclohexyl)-N,4-dimethylpyridin-2-amine
CID 102637873

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine (CID 102637773) is 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine is CN(c1ncc(Cl)cc1Br)C1CCCCC1Cl.
What is the InChIKey of 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine?
The InChIKey is HPHJZOVPJRVIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2N2/c1-17(11-5-3-2-4-10(11)15)12-9(13)6-8(14)7-16-12/h6-7,10-11H,2-5H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine?
3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine has a molecular weight of 338.08 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 102637773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).