6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile

C18H12ClN3O2 — CID 22662788

IUPAC6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nc(Cl)cnc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H12ClN3O2/c19-17-11-21-18(16(10-20)22-17)24-15-8-6-14(7-9-15)23-12-13-4-2-1-3-5-13/h1-9,11H,12H2
InChIKeyLCRMUPPIPIPQRQ-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.37
Rot. Bonds5

About 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile

6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile (PubChem CID 22662788) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
PubChem CID22662788
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
SMILESN#Cc1nc(Cl)cnc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H12ClN3O2/c19-17-11-21-18(16(10-20)22-17)24-15-8-6-14(7-9-15)23-12-13-4-2-1-3-5-13/h1-9,11H,12H2
InChIKeyLCRMUPPIPIPQRQ-UHFFFAOYSA-N
XLogP4.37
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile
CID 177176529
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
CID 118211302
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
3-chloro-5-(4-phenylmethoxyphenyl)pyridine-4-carbonitrile
CID 66926995
6-chloro-N-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 130156889
1-cyano-4-hydroxy-7-phenylmethoxyisoquinoline-3-carboxylic acid
CID 68751448
ethane;4-[[3-(phenoxymethyl)phenyl]methoxy]benzonitrile
CID 91060810
2,4-dichloro-6-[4-(4-phenylmethoxyphenyl)sulfanylphenoxy]-1,3,5-triazine
CID 54075621
5,8-dichloro-3-[(4-methoxyphenyl)methoxy]quinoxaline-2-carbonitrile
CID 66572971
6-methyl-4-phenylmethoxypyridine-2-carbonitrile
CID 130671911

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile (CID 22662788) is 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile is N#Cc1nc(Cl)cnc1Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile?
The InChIKey is LCRMUPPIPIPQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-17-11-21-18(16(10-20)22-17)24-15-8-6-14(7-9-15)23-12-13-4-2-1-3-5-13/h1-9,11H,12H2.
What are the key properties of 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile?
6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile has a molecular weight of 337.77 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 22662788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).