3-chloro-1-(4-phenylphenyl)-2H-pyrazine

C16H13ClN2 — CID 151004362

IUPAC3-chloro-1-(4-phenylphenyl)-2H-pyrazine
SMILESClC1=NC=CN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C16H13ClN2/c17-16-12-19(11-10-18-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyLUTWKHJXQPMMAE-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.28
Rot. Bonds2

About 3-chloro-1-(4-phenylphenyl)-2H-pyrazine

3-chloro-1-(4-phenylphenyl)-2H-pyrazine (PubChem CID 151004362) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 3-chloro-1-(4-phenylphenyl)-2H-pyrazine.

Molecular Properties

Compound Name3-chloro-1-(4-phenylphenyl)-2H-pyrazine
PubChem CID151004362
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name3-chloro-1-(4-phenylphenyl)-2H-pyrazine
SMILESClC1=NC=CN(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C16H13ClN2/c17-16-12-19(11-10-18-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyLUTWKHJXQPMMAE-UHFFFAOYSA-N
XLogP4.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylphenyl)aziridine
CID 152682568
1-(4-chlorophenyl)-3,4-diphenyl-2,5-dihydropyrrole
CID 11484354
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
3-phenyl-5-(4-phenylphenyl)-2H-1,3-thiazole
CID 140714664
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
beryllium;1,1'-biphenyl;hydride
CID 173156439
1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole
CID 146451039
benzene;tris(1,1'-biphenyl)
CID 162155747
azane;4-phenylpyridine
CID 175775455
bis(4-phenylpyridine);trichloroiridium
CID 58162878
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-phenylphenyl)-2H-pyrazine?
The IUPAC name of 3-chloro-1-(4-phenylphenyl)-2H-pyrazine (CID 151004362) is 3-chloro-1-(4-phenylphenyl)-2H-pyrazine.
What is the SMILES notation for 3-chloro-1-(4-phenylphenyl)-2H-pyrazine?
The canonical SMILES for 3-chloro-1-(4-phenylphenyl)-2H-pyrazine is ClC1=NC=CN(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 3-chloro-1-(4-phenylphenyl)-2H-pyrazine?
The InChIKey is LUTWKHJXQPMMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-16-12-19(11-10-18-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 3-chloro-1-(4-phenylphenyl)-2H-pyrazine?
3-chloro-1-(4-phenylphenyl)-2H-pyrazine has a molecular weight of 268.75 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-phenylphenyl)-2H-pyrazine is sourced from PubChem (CID 151004362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).