2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile

C13H9Cl2N3 — CID 133094350

IUPAC2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2c(Cl)cccc2Cl)ncc1N
InChIInChI=1S/C13H9Cl2N3/c14-9-2-1-3-10(15)13(9)12-6-8(4-5-16)11(17)7-18-12/h1-3,6-7H,4,17H2
InChIKeyFUQSWPNPEPQWLG-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.70
Rot. Bonds2

About 2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile

2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 133094350) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
PubChem CID133094350
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(-c2c(Cl)cccc2Cl)ncc1N
InChIInChI=1S/C13H9Cl2N3/c14-9-2-1-3-10(15)13(9)12-6-8(4-5-16)11(17)7-18-12/h1-3,6-7H,4,17H2
InChIKeyFUQSWPNPEPQWLG-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-(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094441
2-[5-amino-2-(2,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094547
2,5-bis(2,6-dichlorophenyl)pyridin-4-amine
CID 118823660
2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134636998
2-[2-amino-5-(2,3,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 119022137
2-[3-chloro-2-(2,3,6-trichlorophenyl)phenyl]acetonitrile
CID 134630550
2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134636100
2-[2-amino-5-(2-chloroanilino)phenyl]acetonitrile
CID 102623812
2-[2-(2,6-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118841766
2-[2-amino-5-(2-chlorophenoxy)phenyl]acetonitrile
CID 102624818
2-[2-amino-5-(2,4,6-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134618494
2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118802502

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile (CID 133094350) is 2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile is N#CCc1cc(-c2c(Cl)cccc2Cl)ncc1N.
What is the InChIKey of 2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is FUQSWPNPEPQWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-9-2-1-3-10(15)13(9)12-6-8(4-5-16)11(17)7-18-12/h1-3,6-7H,4,17H2.
What are the key properties of 2-[5-amino-2-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile?
2-[5-amino-2-(2,6-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-(2,6-dichlorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 133094350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).