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

C12H9Cl4N3 — CID 102754522

IUPAC3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(Nc2cccc(Cl)c2Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl4N3/c1-17-11-7(14)5-8(15)12(19-11)18-9-4-2-3-6(13)10(9)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyUBNVCGBXFCJWIQ-UHFFFAOYSA-N
MW337.04 g/mol
LogP5.48
Rot. Bonds3

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

3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine (PubChem CID 102754522) has the molecular formula C12H9Cl4N3 and a molecular weight of 337.04 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine
PubChem CID102754522
Molecular FormulaC12H9Cl4N3
Molecular Weight337.04 g/mol
Exact Mass334.96
IUPAC Name3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine
SMILESCNc1nc(Nc2cccc(Cl)c2Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H9Cl4N3/c1-17-11-7(14)5-8(15)12(19-11)18-9-4-2-3-6(13)10(9)16/h2-5H,1H3,(H2,17,18,19)
InChIKeyUBNVCGBXFCJWIQ-UHFFFAOYSA-N
XLogP5.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.04
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
5-bromo-4-N-(2,3-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071836
6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102758019
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629
N-(2,3-dichlorophenyl)-3,5,6-trifluoropyridin-2-amine
CID 114072308
6-chloro-2-N-(2,3-dichlorophenyl)pyridine-2,3-diamine
CID 115473651
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
3,5-dichloro-2-N-methyl-6-N-thiophen-3-ylpyridine-2,6-diamine
CID 102758886
3,5-dichloro-2-N-methyl-6-N-(4-methylsulfanylphenyl)pyridine-2,6-diamine
CID 102754673
2,3-dichloro-N-(2,6-dichlorophenyl)aniline
CID 101290103
5-chloro-4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754901
3,5-dichloro-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-methylpyridine-2,6-diamine
CID 102754992

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine (CID 102754522) is 3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine is CNc1nc(Nc2cccc(Cl)c2Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine?
The InChIKey is UBNVCGBXFCJWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl4N3/c1-17-11-7(14)5-8(15)12(19-11)18-9-4-2-3-6(13)10(9)16/h2-5H,1H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine has a molecular weight of 337.04 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102754522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).