2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine

C13H14ClN3 — CID 114250638

IUPAC2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1cccc(C)c1Cl
InChIInChI=1S/C13H14ClN3/c1-8-4-3-5-11(12(8)14)17-13-9(2)6-10(15)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyLPCKPNUMXISHQV-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.68
Rot. Bonds2

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

2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine (PubChem CID 114250638) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine
PubChem CID114250638
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1Nc1cccc(C)c1Cl
InChIInChI=1S/C13H14ClN3/c1-8-4-3-5-11(12(8)14)17-13-9(2)6-10(15)7-16-13/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyLPCKPNUMXISHQV-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

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Related Compounds

3-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 62476690
4-N-(2-chloro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 114250669
2-N-(4-fluoro-2-methylphenyl)-3-methylpyridine-2,5-diamine
CID 62477222
3-bromo-2-N-(2-fluoro-3-methylphenyl)pyridine-2,5-diamine
CID 114254112
2-N-(2,6-diethylphenyl)-3-methylpyridine-2,5-diamine
CID 82482312
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393
2-N-(4-fluorophenyl)-3-methylpyridine-2,5-diamine
CID 62476193
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
CID 55187303
4-N-(2-chloro-3-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 114250639
4-N-(2-chloro-3-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23987495
5-amino-2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114046976
2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
CID 107571400

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine (CID 114250638) is 2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine is Cc1cc(N)cnc1Nc1cccc(C)c1Cl.
What is the InChIKey of 2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine?
The InChIKey is LPCKPNUMXISHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8-4-3-5-11(12(8)14)17-13-9(2)6-10(15)7-16-13/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine?
2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-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 2-N-(2-chloro-3-methylphenyl)-3-methylpyridine-2,5-diamine is sourced from PubChem (CID 114250638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).