6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine

C12H9BrCl3N3 — CID 102758019

IUPAC6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(Nc2cc(Br)ccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H9BrCl3N3/c1-17-11-8(15)5-9(16)12(19-11)18-10-4-6(13)2-3-7(10)14/h2-5H,1H3,(H2,17,18,19)
InChIKeyCXRWDCSHUHNIIT-UHFFFAOYSA-N
MW381.49 g/mol
LogP5.59
Rot. Bonds3

About 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine

6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine (PubChem CID 102758019) has the molecular formula C12H9BrCl3N3 and a molecular weight of 381.49 g/mol. Its IUPAC name is 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
PubChem CID102758019
Molecular FormulaC12H9BrCl3N3
Molecular Weight381.49 g/mol
Exact Mass378.90
IUPAC Name6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(Nc2cc(Br)ccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H9BrCl3N3/c1-17-11-8(15)5-9(16)12(19-11)18-10-4-6(13)2-3-7(10)14/h2-5H,1H3,(H2,17,18,19)
InChIKeyCXRWDCSHUHNIIT-UHFFFAOYSA-N
XLogP5.59
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.49
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102756861
4-N-(5-bromo-2-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824850
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine
CID 102754522
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
N-(5-bromo-2-chlorophenyl)-3-chloropyrazin-2-amine
CID 62910149
2-N-(5-bromo-2-chlorophenyl)-6-methoxypyridine-2,3-diamine
CID 113286539
6-(5-bromo-2-methylphenoxy)-3,5-dichloro-N-methylpyridin-2-amine
CID 107287594
N-(5-bromo-2-chlorophenyl)-5-chloro-6-(methylamino)pyridine-3-sulfonamide
CID 64601121
N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
CID 63548575
5-bromo-2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 102759368
4-N-(5-bromo-2-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80984109
4-N-(5-bromo-2-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80806935

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine (CID 102758019) is 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine is CNc1nc(Nc2cc(Br)ccc2Cl)c(Cl)cc1Cl.
What is the InChIKey of 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine?
The InChIKey is CXRWDCSHUHNIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl3N3/c1-17-11-8(15)5-9(16)12(19-11)18-10-4-6(13)2-3-7(10)14/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine?
6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine has a molecular weight of 381.49 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102758019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).