2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile

C13H9Cl2N3 — CID 133094542

IUPAC2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(N)ccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3/c14-8-1-3-11(15)10(7-8)9-2-4-13(17)18-12(9)5-6-16/h1-4,7H,5H2,(H2,17,18)
InChIKeyZZTIQXSJVJTWKD-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.70
Rot. Bonds2

About 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile

2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 133094542) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
PubChem CID133094542
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(N)ccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3/c14-8-1-3-11(15)10(7-8)9-2-4-13(17)18-12(9)5-6-16/h1-4,7H,5H2,(H2,17,18)
InChIKeyZZTIQXSJVJTWKD-UHFFFAOYSA-N
XLogP3.70
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dichlorophenyl)pyridine-2,6-diamine
CID 66637020
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
2-[6-chloro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093909
2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547
2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869791
2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 133094533
2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
5-(2-chlorophenyl)-6-ethylpyridin-2-amine
CID 155778431
2,6-dichloro-3-(2,5-dichlorophenyl)pyridine
CID 118999400
2-[3-(3,4-dichlorophenyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 133094368
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094455

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile (CID 133094542) is 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile is N#CCc1nc(N)ccc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is ZZTIQXSJVJTWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-8-1-3-11(15)10(7-8)9-2-4-13(17)18-12(9)5-6-16/h1-4,7H,5H2,(H2,17,18).
What are the key properties of 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile?
2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile has a molecular weight of 278.14 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133094542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).