3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile

C12H8ClN3O — CID 22481973

IUPAC3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1cccc(COc2cncc(Cl)n2)c1
InChIInChI=1S/C12H8ClN3O/c13-11-6-15-7-12(16-11)17-8-10-3-1-2-9(4-10)5-14/h1-4,6-7H,8H2
InChIKeyLFVNAYZMFILRJV-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.58
Rot. Bonds3

About 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile

3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile (PubChem CID 22481973) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile
PubChem CID22481973
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile
SMILESN#Cc1cccc(COc2cncc(Cl)n2)c1
InChIInChI=1S/C12H8ClN3O/c13-11-6-15-7-12(16-11)17-8-10-3-1-2-9(4-10)5-14/h1-4,6-7H,8H2
InChIKeyLFVNAYZMFILRJV-UHFFFAOYSA-N
XLogP2.58
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-fluoro-2-pyridinyl)oxymethyl]benzonitrile
CID 126955115
3-[(2,3,4,5,6-pentafluorophenoxy)methyl]benzonitrile
CID 43607862
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
3-chloro-2-[(3-cyanophenyl)methoxy]benzoic acid
CID 115955877
2-chloro-6-[3-(methoxymethyl)phenoxy]pyrazine
CID 63985764
3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
3-(1H-indazol-5-yloxymethyl)benzonitrile
CID 18447114
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
CID 79800273
3-[(4-ethyl-5-fluoropyrimidin-2-yl)oxymethyl]benzonitrile
CID 163917292
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile?
The IUPAC name of 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile (CID 22481973) is 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile.
What is the SMILES notation for 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile?
The canonical SMILES for 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile is N#Cc1cccc(COc2cncc(Cl)n2)c1.
What is the InChIKey of 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile?
The InChIKey is LFVNAYZMFILRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-11-6-15-7-12(16-11)17-8-10-3-1-2-9(4-10)5-14/h1-4,6-7H,8H2.
What are the key properties of 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile?
3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile has a molecular weight of 245.67 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyrazin-2-yl)oxymethyl]benzonitrile is sourced from PubChem (CID 22481973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).