2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile

C13H9Cl2N3 — CID 133094547

IUPAC2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2cc(Cl)ccc2Cl)ncc1N
InChIInChI=1S/C13H9Cl2N3/c14-9-1-2-11(15)10(6-9)13-5-8(3-4-16)12(17)7-18-13/h1-2,5-7H,3,17H2
InChIKeyIVGNEEMCZZTNGL-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.70
Rot. Bonds2

About 2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile

2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 133094547) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
PubChem CID133094547
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2cc(Cl)ccc2Cl)ncc1N
InChIInChI=1S/C13H9Cl2N3/c14-9-1-2-11(15)10(6-9)13-5-8(3-4-16)12(17)7-18-13/h1-2,5-7H,3,17H2
InChIKeyIVGNEEMCZZTNGL-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

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Related Compounds

2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094350
2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094441
2,5-bis(2,5-dichlorophenyl)pyridin-4-amine
CID 118806618
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134636100
2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094542
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539
2-[6-(2,5-dichlorophenyl)-3-fluoro-2-pyridinyl]acetonitrile
CID 133094570
[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]methanol
CID 118841793
2-[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]acetic acid
CID 118836144
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870604

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile (CID 133094547) is 2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile is N#CCc1cc(-c2cc(Cl)ccc2Cl)ncc1N.
What is the InChIKey of 2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is IVGNEEMCZZTNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-9-1-2-11(15)10(6-9)13-5-8(3-4-16)12(17)7-18-13/h1-2,5-7H,3,17H2.
What are the key properties of 2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
2-[5-amino-2-(2,5-dichlorophenyl)-4-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-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 133094547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).