6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine

C13H14ClN3 — CID 113316737

IUPAC6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
SMILESCCc1cccc(Nc2nc(Cl)ccc2N)c1
InChIInChI=1S/C13H14ClN3/c1-2-9-4-3-5-10(8-9)16-13-11(15)6-7-12(14)17-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyJBGIEQAJTUPTIK-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.62
Rot. Bonds3

About 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine

6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine (PubChem CID 113316737) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
PubChem CID113316737
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine
SMILESCCc1cccc(Nc2nc(Cl)ccc2N)c1
InChIInChI=1S/C13H14ClN3/c1-2-9-4-3-5-10(8-9)16-13-11(15)6-7-12(14)17-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyJBGIEQAJTUPTIK-UHFFFAOYSA-N
XLogP3.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.62
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

5-amino-6-(3-ethylanilino)pyridine-2-carboxamide
CID 114405232
6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
CID 113316745
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943
2-N-[3-(aminomethyl)phenyl]-6-N-methylpyridine-2,3,6-triamine
CID 163443040
6-chloro-N-(3-ethylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63549060
4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
CID 58910370
4-N-(3-ethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80762166
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444
2-N-(3-ethylphenyl)pyridine-2,5-diamine
CID 20714461
2-N-(3-ethylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79884819
6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80971019

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine (CID 113316737) is 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine is CCc1cccc(Nc2nc(Cl)ccc2N)c1.
What is the InChIKey of 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine?
The InChIKey is JBGIEQAJTUPTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-2-9-4-3-5-10(8-9)16-13-11(15)6-7-12(14)17-13/h3-8H,2,15H2,1H3,(H,16,17).
What are the key properties of 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine?
6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine has a molecular weight of 247.73 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-ethylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 113316737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).