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

C13H12BrClN2 — CID 66161162

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccncc1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C13H12BrClN2/c1-9-4-5-16-8-13(9)17-7-10-6-11(15)2-3-12(10)14/h2-6,8,17H,7H2,1H3
InChIKeyJBNHOEMAMJFKJB-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.42
Rot. Bonds3

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

N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine (PubChem CID 66161162) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
PubChem CID66161162
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccncc1NCc1cc(Cl)ccc1Br
InChIInChI=1S/C13H12BrClN2/c1-9-4-5-16-8-13(9)17-7-10-6-11(15)2-3-12(10)14/h2-6,8,17H,7H2,1H3
InChIKeyJBNHOEMAMJFKJB-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 66159679
5-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2-methylaniline
CID 66161311
3-[(2-bromo-5-chlorophenyl)methylamino]-4-methylbenzonitrile
CID 66160570
N-[(2-bromo-5-chlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 66160456
N-[(2-bromo-5-chlorophenyl)methyl]-2,4,6-trimethylaniline
CID 66159560
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3,5-dimethylaniline
CID 107571724
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
N-[(2,4-difluorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329924
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
1-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 66158897
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
2,6-dibromo-N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66161248

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine (CID 66161162) is N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine is Cc1ccncc1NCc1cc(Cl)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine?
The InChIKey is JBNHOEMAMJFKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-9-4-5-16-8-13(9)17-7-10-6-11(15)2-3-12(10)14/h2-6,8,17H,7H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine?
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine has a molecular weight of 311.61 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 66161162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).