2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile

C12H7Cl2N3 — CID 83738665

IUPAC2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile
SMILESN#CC(c1cnccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2N3/c13-8-1-2-9(11(14)5-8)10(6-15)12-7-16-3-4-17-12/h1-5,7,10H
InChIKeyHFARCEWQHKSNFH-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.44
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile

2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile (PubChem CID 83738665) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile
PubChem CID83738665
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile
SMILESN#CC(c1cnccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H7Cl2N3/c13-8-1-2-9(11(14)5-8)10(6-15)12-7-16-3-4-17-12/h1-5,7,10H
InChIKeyHFARCEWQHKSNFH-UHFFFAOYSA-N
XLogP3.44
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-pyrazin-2-ylmethanol
CID 63970677
2-naphthalen-1-yl-2-pyrazin-2-ylacetonitrile
CID 116833408
2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
CID 56604864
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
CID 3758411
2-cinnolin-4-yl-2-(2,4-dichlorophenyl)acetonitrile
CID 5156996
2-pyrazin-2-yl-2-(1H-pyrrol-2-yl)acetonitrile
CID 116833358
2-(5-methylfuran-2-yl)-2-pyrazin-2-ylacetonitrile
CID 116833398
(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethanamine
CID 115860428
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanol
CID 106859248
2-(2,5-dichlorophenyl)-1-pyrazin-2-ylethanamine
CID 65321517
2-(1,3-benzoxazol-6-yl)-2-pyrazin-2-ylacetonitrile
CID 116833380
1-(2,4-dichlorophenyl)-2-pyrazin-2-ylpent-4-yn-1-one
CID 57275202

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile (CID 83738665) is 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile is N#CC(c1cnccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile?
The InChIKey is HFARCEWQHKSNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-8-1-2-9(11(14)5-8)10(6-15)12-7-16-3-4-17-12/h1-5,7,10H.
What are the key properties of 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile?
2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile has a molecular weight of 264.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile is sourced from PubChem (CID 83738665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).