2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine

C13H13Cl2N3 — CID 113445735

IUPAC2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine
SMILESCc1cc(Cl)c(Nc2nccc(C)c2N)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-7-3-4-17-13(12(7)16)18-11-6-9(14)8(2)5-10(11)15/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyAITCZELJCKLKGY-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.33
Rot. Bonds2

About 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine

2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine (PubChem CID 113445735) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine
PubChem CID113445735
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine
SMILESCc1cc(Cl)c(Nc2nccc(C)c2N)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-7-3-4-17-13(12(7)16)18-11-6-9(14)8(2)5-10(11)15/h3-6H,16H2,1-2H3,(H,17,18)
InChIKeyAITCZELJCKLKGY-UHFFFAOYSA-N
XLogP4.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
CID 81262191
4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 104728696
4-N-(2,5-dichloro-4-methylphenyl)-6-methoxypyrimidine-4,5-diamine
CID 104725895
2-N-(2-fluoro-3-methylphenyl)-4-methylpyridine-2,3-diamine
CID 114254113
5-N-(2,5-dichloro-4-methylphenyl)-1,3-benzothiazole-4,5-diamine
CID 104725890
5-amino-2-(2,5-dichloro-4-methylanilino)pyridine-3-carbonitrile
CID 104725902
N-(2,5-dichloro-4-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 104728727
2-N-(8-chloroquinolin-2-yl)-4-methylpyridine-2,3-diamine
CID 67127340
N-(2,5-dichloro-4-methylphenyl)-1H-imidazol-2-amine
CID 106580607
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444
3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 112734776
5-chloro-N-(2,5-dichloro-4-methylphenyl)-3-fluoropyridin-2-amine
CID 104728088

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine (CID 113445735) is 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine is Cc1cc(Cl)c(Nc2nccc(C)c2N)cc1Cl.
What is the InChIKey of 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine?
The InChIKey is AITCZELJCKLKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-7-3-4-17-13(12(7)16)18-11-6-9(14)8(2)5-10(11)15/h3-6H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine?
2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine has a molecular weight of 282.17 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dichloro-4-methylphenyl)-4-methylpyridine-2,3-diamine is sourced from PubChem (CID 113445735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).