6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine

C13H14ClN3 — CID 114070533

IUPAC6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine
SMILESCc1ccc(C)c(Nc2cc(N)cc(Cl)n2)c1
InChIInChI=1S/C13H14ClN3/c1-8-3-4-9(2)11(5-8)16-13-7-10(15)6-12(14)17-13/h3-7H,1-2H3,(H3,15,16,17)
InChIKeyVBVLWOJWKYITFF-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.68
Rot. Bonds2

About 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine

6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine (PubChem CID 114070533) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine
PubChem CID114070533
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine
SMILESCc1ccc(C)c(Nc2cc(N)cc(Cl)n2)c1
InChIInChI=1S/C13H14ClN3/c1-8-3-4-9(2)11(5-8)16-13-7-10(15)6-12(14)17-13/h3-7H,1-2H3,(H3,15,16,17)
InChIKeyVBVLWOJWKYITFF-UHFFFAOYSA-N
XLogP3.68
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(5-chloro-2-fluorophenyl)pyridine-2,4-diamine
CID 114070545
2-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928067
4-chloro-1-N-(2,5-dimethylphenyl)-6-methylbenzene-1,3-diamine
CID 163370554
3-N-(5-chloro-2-methylphenyl)-5-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963144
3-N-(2,5-dimethylphenyl)-1H-1,2,4-triazole-3,5-diamine
CID 100786207
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928075
4-chloro-1-N-(2,5-dimethylphenyl)benzene-1,2-diamine
CID 29067167
2-cyclopropyl-N-(2,5-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968268
4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709
5-chloro-1-N-(2,5-dimethylphenyl)-6-fluorobenzene-1,2,4-triamine
CID 103552595
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine (CID 114070533) is 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine is Cc1ccc(C)c(Nc2cc(N)cc(Cl)n2)c1.
What is the InChIKey of 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine?
The InChIKey is VBVLWOJWKYITFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8-3-4-9(2)11(5-8)16-13-7-10(15)6-12(14)17-13/h3-7H,1-2H3,(H3,15,16,17).
What are the key properties of 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine?
6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine has a molecular weight of 247.73 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2,5-dimethylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 114070533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).