5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine

C12H12ClN3 — CID 66252796

IUPAC5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine
SMILESCc1cccc(Cl)c1Nc1ccc(N)nc1
InChIInChI=1S/C12H12ClN3/c1-8-3-2-4-10(13)12(8)16-9-5-6-11(14)15-7-9/h2-7,16H,1H3,(H2,14,15)
InChIKeyINDHWVRLOAEQQN-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.37
Rot. Bonds2

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

5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine (PubChem CID 66252796) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine
PubChem CID66252796
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine
SMILESCc1cccc(Cl)c1Nc1ccc(N)nc1
InChIInChI=1S/C12H12ClN3/c1-8-3-2-4-10(13)12(8)16-9-5-6-11(14)15-7-9/h2-7,16H,1H3,(H2,14,15)
InChIKeyINDHWVRLOAEQQN-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

4-N-(2-chloro-6-methylphenyl)quinoline-3,4-diamine
CID 103963431
5-amino-N-(2-chloro-6-methylphenyl)pyrazine-2-carboxamide
CID 107376052
6-chloro-4-N-(2-chloro-6-methylphenyl)pyrimidine-4,5-diamine
CID 66251442
2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312
5-bromo-N-(2-chloro-6-methylphenyl)pyridin-2-amine
CID 66255644
5-N-pyridin-4-ylpyridine-2,5-diamine
CID 157044119
3-N-(2-chloro-6-methylphenyl)-4-methylbenzene-1,3-diamine
CID 66253174
N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 79073311
6-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 66255009
4-chloro-2-N-(2-chloro-6-methylphenyl)benzene-1,2-diamine
CID 115469101
1-(2-chloro-6-methylphenyl)-2-(4-methylphenyl)hydrazine
CID 21332684

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine (CID 66252796) is 5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine is Cc1cccc(Cl)c1Nc1ccc(N)nc1.
What is the InChIKey of 5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine?
The InChIKey is INDHWVRLOAEQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-8-3-2-4-10(13)12(8)16-9-5-6-11(14)15-7-9/h2-7,16H,1H3,(H2,14,15).
What are the key properties of 5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine?
5-N-(2-chloro-6-methylphenyl)pyridine-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 5-N-(2-chloro-6-methylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 66252796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).