4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine

C13H14ClN3 — CID 114272209

IUPAC4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine
SMILESCc1cc(Nc2cc(N)ccc2Cl)cc(C)n1
InChIInChI=1S/C13H14ClN3/c1-8-5-11(6-9(2)16-8)17-13-7-10(15)3-4-12(13)14/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyNLQDNYWGLBRMDR-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.68
Rot. Bonds2

About 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine

4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine (PubChem CID 114272209) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine
PubChem CID114272209
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine
SMILESCc1cc(Nc2cc(N)ccc2Cl)cc(C)n1
InChIInChI=1S/C13H14ClN3/c1-8-5-11(6-9(2)16-8)17-13-7-10(15)3-4-12(13)14/h3-7H,15H2,1-2H3,(H,16,17)
InChIKeyNLQDNYWGLBRMDR-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,6-dimethyl-4-pyridinyl)benzene-1,4-diamine
CID 157044242
methyl 4-(5-amino-2-chloroanilino)-6-methylpyrimidine-2-carboxylate
CID 66286908
4-chloro-3-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzene-1,3-diamine
CID 54903551
4-chloro-3-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,3-diamine
CID 115973365
4-chloro-3-N-(3-methylquinolin-2-yl)benzene-1,3-diamine
CID 63229476
4-chloro-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 61013625
3-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 107571479
4-chloro-3-N-(6-ethoxy-2-methylpyrimidin-4-yl)benzene-1,3-diamine
CID 66333720
5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
CID 115490340
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 43148771
4-(5-amino-2-chloroanilino)-2-chlorobenzamide
CID 62944720
3-N-(2-chloro-5-fluorophenyl)benzene-1,3-diamine
CID 107526846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine?
The IUPAC name of 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine (CID 114272209) is 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine.
What is the SMILES notation for 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine?
The canonical SMILES for 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine is Cc1cc(Nc2cc(N)ccc2Cl)cc(C)n1.
What is the InChIKey of 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine?
The InChIKey is NLQDNYWGLBRMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8-5-11(6-9(2)16-8)17-13-7-10(15)3-4-12(13)14/h3-7H,15H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine?
4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-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 4-chloro-3-N-(2,6-dimethyl-4-pyridinyl)benzene-1,3-diamine is sourced from PubChem (CID 114272209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).