2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile

C13H9Cl2N3 — CID 133094441

IUPAC2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2cc(Cl)cc(Cl)c2)ncc1N
InChIInChI=1S/C13H9Cl2N3/c14-10-3-9(4-11(15)6-10)13-5-8(1-2-16)12(17)7-18-13/h3-7H,1,17H2
InChIKeyXJJAXVVHSJMGBU-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.70
Rot. Bonds2

About 2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile

2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 133094441) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
PubChem CID133094441
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2cc(Cl)cc(Cl)c2)ncc1N
InChIInChI=1S/C13H9Cl2N3/c14-10-3-9(4-11(15)6-10)13-5-8(1-2-16)12(17)7-18-13/h3-7H,1,17H2
InChIKeyXJJAXVVHSJMGBU-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

5-amino-2-(3,5-dichlorophenyl)pyridine-4-carbonitrile
CID 133095975
2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094350
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547
2-[5-amino-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094439
2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 119014344
2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094384
2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618494
2-[2,5-bis(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134635727
2-(3-amino-5-chloro-2-fluorophenyl)acetonitrile
CID 131518600
2-[5-chloro-2-(cyanomethyl)-3-pyridinyl]acetonitrile
CID 55266700
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
2-[2-amino-5-(2,3,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119022137

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile (CID 133094441) is 2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile is N#CCc1cc(-c2cc(Cl)cc(Cl)c2)ncc1N.
What is the InChIKey of 2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is XJJAXVVHSJMGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-10-3-9(4-11(15)6-10)13-5-8(1-2-16)12(17)7-18-13/h3-7H,1,17H2.
What are the key properties of 2-[5-amino-2-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile?
2-[5-amino-2-(3,5-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-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 133094441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).