2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine

C12H8ClF3N2O — CID 155386797

IUPAC2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine
SMILESFc1ccc(-c2cncc(CCl)n2)cc1OC(F)F
InChIInChI=1S/C12H8ClF3N2O/c13-4-8-5-17-6-10(18-8)7-1-2-9(14)11(3-7)19-12(15)16/h1-3,5-6,12H,4H2
InChIKeyBWDAFSADIPKTQV-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.62
Rot. Bonds4

About 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine

2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine (PubChem CID 155386797) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine
PubChem CID155386797
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine
SMILESFc1ccc(-c2cncc(CCl)n2)cc1OC(F)F
InChIInChI=1S/C12H8ClF3N2O/c13-4-8-5-17-6-10(18-8)7-1-2-9(14)11(3-7)19-12(15)16/h1-3,5-6,12H,4H2
InChIKeyBWDAFSADIPKTQV-UHFFFAOYSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazin-2-yl]methyl]-5,5-dimethyl-1,3-oxazolidin-2-one
CID 155386749
1-[(5-chloro-3-pyridinyl)methyl]-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine
CID 155387057
2-(chloromethyl)-6-phenylpyrazine
CID 177237498
2-(chloromethyl)-5-(difluoromethoxy)-4-fluoropyridine
CID 119007845
[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine
CID 83849216
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
CID 155399998
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(ethylsulfonylmethyl)pyrazolo[4,5-b]pyridine
CID 155386037
3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]-3-methylpyrazin-2-yl]methyl]-4H-1,3-oxazin-2-one
CID 162717326
2-[[5-[3-(difluoromethoxy)-4-fluorophenyl]-3-pyridinyl]methyl-methylamino]ethyl formate
CID 155405952
(4S)-3-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazin-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 155386853
1-[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]butan-2-one
CID 155386010
3-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 155389139

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine?
The IUPAC name of 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine (CID 155386797) is 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine is Fc1ccc(-c2cncc(CCl)n2)cc1OC(F)F.
What is the InChIKey of 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine?
The InChIKey is BWDAFSADIPKTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c13-4-8-5-17-6-10(18-8)7-1-2-9(14)11(3-7)19-12(15)16/h1-3,5-6,12H,4H2.
What are the key properties of 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine?
2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine has a molecular weight of 288.66 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazine is sourced from PubChem (CID 155386797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).