2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine

C14H11ClN2O — CID 114734051

IUPAC2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(-c2cc3ccccc3o2)nc1C
InChIInChI=1S/C14H11ClN2O/c1-8-9(2)17-14(15)13(16-8)12-7-10-5-3-4-6-11(10)18-12/h3-7H,1-2H3
InChIKeyOVXFXQHTFVDPNR-UHFFFAOYSA-N
MW258.71 g/mol
LogP4.16
Rot. Bonds1

About 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine

2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine (PubChem CID 114734051) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
PubChem CID114734051
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine
SMILESCc1nc(Cl)c(-c2cc3ccccc3o2)nc1C
InChIInChI=1S/C14H11ClN2O/c1-8-9(2)17-14(15)13(16-8)12-7-10-5-3-4-6-11(10)18-12/h3-7H,1-2H3
InChIKeyOVXFXQHTFVDPNR-UHFFFAOYSA-N
XLogP4.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzofuran-2-yl)-4-chloro-1,2,5-thiadiazole
CID 114734078
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
4-(1-benzofuran-2-yl)-6-chloro-5-propylpyrimidine
CID 114734073
4-(1-benzofuran-2-yl)-5-bromo-2-chloropyrimidine
CID 169089879
6-(1-benzofuran-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102754018
2-(5-methylthiophen-2-yl)-1-benzofuran
CID 24744243
2-(1-benzofuran-2-yl)-3-phenylquinoxaline
CID 20787617
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
5-(1-benzofuran-2-yl)-1-methyltetrazole
CID 57215043
1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61282279
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine (CID 114734051) is 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine is Cc1nc(Cl)c(-c2cc3ccccc3o2)nc1C.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine?
The InChIKey is OVXFXQHTFVDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-9(2)17-14(15)13(16-8)12-7-10-5-3-4-6-11(10)18-12/h3-7H,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine?
2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine has a molecular weight of 258.71 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-chloro-5,6-dimethylpyrazine is sourced from PubChem (CID 114734051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).