2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine

C12H6ClFN2O — CID 114734299

IUPAC2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
SMILESFc1cccc2cc(-c3cncc(Cl)n3)oc12
InChIInChI=1S/C12H6ClFN2O/c13-11-6-15-5-9(16-11)10-4-7-2-1-3-8(14)12(7)17-10/h1-6H
InChIKeyNFLXJEWIDMMSSA-UHFFFAOYSA-N
MW248.64 g/mol
LogP3.68
Rot. Bonds1

About 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine

2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine (PubChem CID 114734299) has the molecular formula C12H6ClFN2O and a molecular weight of 248.64 g/mol. Its IUPAC name is 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
PubChem CID114734299
Molecular FormulaC12H6ClFN2O
Molecular Weight248.64 g/mol
Exact Mass248.02
IUPAC Name2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
SMILESFc1cccc2cc(-c3cncc(Cl)n3)oc12
InChIInChI=1S/C12H6ClFN2O/c13-11-6-15-5-9(16-11)10-4-7-2-1-3-8(14)12(7)17-10/h1-6H
InChIKeyNFLXJEWIDMMSSA-UHFFFAOYSA-N
XLogP3.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758
[2-(7-fluoro-1-benzofuran-2-yl)-4-pyridinyl]methanamine
CID 115113748
2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol
CID 107663435
4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
CID 114734322
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
CID 114734949
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734909
2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734954
4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine
CID 114734330
5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazole-4-carboxylic acid
CID 115109503
5-(7-fluoro-1-benzofuran-2-yl)-3-methylpyridin-2-amine
CID 114731979
2-(5-bromo-2-fluorophenyl)-6-chloropyrazine
CID 79743065
5-(7-fluoro-1-benzofuran-2-yl)-1H-indazole
CID 166359737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine?
The IUPAC name of 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine (CID 114734299) is 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine is Fc1cccc2cc(-c3cncc(Cl)n3)oc12.
What is the InChIKey of 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine?
The InChIKey is NFLXJEWIDMMSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2O/c13-11-6-15-5-9(16-11)10-4-7-2-1-3-8(14)12(7)17-10/h1-6H.
What are the key properties of 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine?
2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine has a molecular weight of 248.64 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine is sourced from PubChem (CID 114734299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).