2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine

C12H12ClN3 — CID 79021207

IUPAC2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2)ncc1N
InChIInChI=1S/C12H12ClN3/c1-8-6-12(15-7-11(8)14)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeyAQXRKXDBPYYLMY-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.37
Rot. Bonds2

About 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine

2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine (PubChem CID 79021207) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
PubChem CID79021207
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
SMILESCc1cc(Nc2ccc(Cl)cc2)ncc1N
InChIInChI=1S/C12H12ClN3/c1-8-6-12(15-7-11(8)14)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3,(H,15,16)
InChIKeyAQXRKXDBPYYLMY-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-iodophenyl)-4-methylpyridine-2,5-diamine
CID 79172818
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
4-methyl-2-N-quinolin-6-ylpyridine-2,5-diamine
CID 79176038
2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
CID 79175673
2-N-(3-chloro-4-methylphenyl)-5-methylpyridine-2,4-diamine
CID 83266608
N-(5-amino-4-methyl-2-pyridinyl)-5-chloro-2-fluorobenzamide
CID 61292772
N-(4-chlorophenyl)-4-methylpyridin-2-amine
CID 53414585

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine (CID 79021207) is 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine is Cc1cc(Nc2ccc(Cl)cc2)ncc1N.
What is the InChIKey of 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is AQXRKXDBPYYLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8-6-12(15-7-11(8)14)16-10-4-2-9(13)3-5-10/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine?
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 233.70 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 79021207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).