4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile

C11H5ClFN3 — CID 135293596

IUPAC4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2cncc(Cl)n2)cc1F
InChIInChI=1S/C11H5ClFN3/c12-11-6-15-5-10(16-11)7-1-2-8(4-14)9(13)3-7/h1-3,5-6H
InChIKeyZFLDEZBBURWPGJ-UHFFFAOYSA-N
MW233.63 g/mol
LogP2.81
Rot. Bonds1

About 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile

4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile (PubChem CID 135293596) has the molecular formula C11H5ClFN3 and a molecular weight of 233.63 g/mol. Its IUPAC name is 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile
PubChem CID135293596
Molecular FormulaC11H5ClFN3
Molecular Weight233.63 g/mol
Exact Mass233.02
IUPAC Name4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile
SMILESN#Cc1ccc(-c2cncc(Cl)n2)cc1F
InChIInChI=1S/C11H5ClFN3/c12-11-6-15-5-10(16-11)7-1-2-8(4-14)9(13)3-7/h1-3,5-6H
InChIKeyZFLDEZBBURWPGJ-UHFFFAOYSA-N
XLogP2.81
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-(dimethylamino)pyrazin-2-yl]-2-fluorobenzonitrile
CID 135293574
4-[2-chloro-6-(methylamino)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 118142084
2-chloro-6-(4-fluorophenyl)pyrazine;ethane
CID 178127340
4-(5-bromo-2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 118142117
2-fluoro-4-[5-(hydroxymethyl)-3-pyridinyl]benzonitrile
CID 135293591
5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 24901883
4-(3-amino-1,2-dihydro-1,2,4-triazin-6-yl)-2-fluorobenzonitrile
CID 130239584
4-[2-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 58504496
4-(5-decyl-2-pyridinyl)-2-fluorobenzonitrile
CID 19859304
2-fluoro-4-(5-hexyl-2-pyridinyl)benzonitrile
CID 22008072
2-fluoro-4-hydroxybenzonitrile;5-fluoropyridin-3-ol
CID 175017807
2-fluoro-4-[1-(4-propan-2-ylphenyl)triazol-4-yl]benzonitrile
CID 167835616

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile?
The IUPAC name of 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile (CID 135293596) is 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile is N#Cc1ccc(-c2cncc(Cl)n2)cc1F.
What is the InChIKey of 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile?
The InChIKey is ZFLDEZBBURWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClFN3/c12-11-6-15-5-10(16-11)7-1-2-8(4-14)9(13)3-7/h1-3,5-6H.
What are the key properties of 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile?
4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile has a molecular weight of 233.63 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyrazin-2-yl)-2-fluorobenzonitrile is sourced from PubChem (CID 135293596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).