5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile

C18H12BrN3O — CID 118211302

IUPAC5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
SMILESN#Cc1ncc(Br)nc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H12BrN3O/c19-17-11-21-16(10-20)18(22-17)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13/h1-9,11H,12H2
InChIKeyPHPCXPGWPAPWBG-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.36
Rot. Bonds4

About 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile

5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile (PubChem CID 118211302) has the molecular formula C18H12BrN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
PubChem CID118211302
Molecular FormulaC18H12BrN3O
Molecular Weight366.22 g/mol
Exact Mass365.02
IUPAC Name5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
SMILESN#Cc1ncc(Br)nc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H12BrN3O/c19-17-11-21-16(10-20)18(22-17)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13/h1-9,11H,12H2
InChIKeyPHPCXPGWPAPWBG-UHFFFAOYSA-N
XLogP4.36
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzimidazol-1-ylamino)-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
CID 118211468
5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile
CID 177176529
6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
CID 22662788
3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 155906636
4-[(4-phenylphenoxy)methyl]benzonitrile
CID 7919523
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
methyl 3-amino-6-bromo-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 86663009
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile
CID 66926995
2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
CID 135435151
5-(4-ethoxyanilino)-2-(4-phenylmethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 18822730
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile?
The IUPAC name of 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile (CID 118211302) is 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile is N#Cc1ncc(Br)nc1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile?
The InChIKey is PHPCXPGWPAPWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O/c19-17-11-21-16(10-20)18(22-17)14-6-8-15(9-7-14)23-12-13-4-2-1-3-5-13/h1-9,11H,12H2.
What are the key properties of 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile?
5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile has a molecular weight of 366.22 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile is sourced from PubChem (CID 118211302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).