2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine

C21H12ClN3O — CID 137424596

IUPAC2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
SMILESClc1nc2c(nc1-c1ccc(-c3ccccn3)cc1)oc1ccccc12
InChIInChI=1S/C21H12ClN3O/c22-20-18(14-10-8-13(9-11-14)16-6-3-4-12-23-16)25-21-19(24-20)15-5-1-2-7-17(15)26-21/h1-12H
InChIKeyJMAPBGFIUHGQFX-UHFFFAOYSA-N
MW357.80 g/mol
LogP5.76
Rot. Bonds2

About 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine

2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine (PubChem CID 137424596) has the molecular formula C21H12ClN3O and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine.

Molecular Properties

Compound Name2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
PubChem CID137424596
Molecular FormulaC21H12ClN3O
Molecular Weight357.80 g/mol
Exact Mass357.07
IUPAC Name2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine
SMILESClc1nc2c(nc1-c1ccc(-c3ccccn3)cc1)oc1ccccc12
InChIInChI=1S/C21H12ClN3O/c22-20-18(14-10-8-13(9-11-14)16-6-3-4-12-23-16)25-21-19(24-20)15-5-1-2-7-17(15)26-21/h1-12H
InChIKeyJMAPBGFIUHGQFX-UHFFFAOYSA-N
XLogP5.76
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.80
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-dibenzofuran-2-yl-[1]benzofuro[2,3-b]pyrazine
CID 137433440
2-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056233
2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine
CID 167353771
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
[1]benzofuro[2,3-b]pyrazine
CID 55297119
4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158338407
4-[4-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]phenyl]-2-chloro-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-chloro-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 159786687
2-chloro-3-pyridin-2-ylbenzo[f]quinoxaline
CID 146554889
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262632
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
2-dibenzofuran-3-yl-5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-3,6-diphenylpyrazine
CID 156509413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The IUPAC name of 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine (CID 137424596) is 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine.
What is the SMILES notation for 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The canonical SMILES for 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine is Clc1nc2c(nc1-c1ccc(-c3ccccn3)cc1)oc1ccccc12.
What is the InChIKey of 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
The InChIKey is JMAPBGFIUHGQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClN3O/c22-20-18(14-10-8-13(9-11-14)16-6-3-4-12-23-16)25-21-19(24-20)15-5-1-2-7-17(15)26-21/h1-12H.
What are the key properties of 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine?
2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine has a molecular weight of 357.80 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyrazine is sourced from PubChem (CID 137424596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).