6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol

C11H6ClF3N2O2 — CID 178073095

IUPAC6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol
SMILESOc1c(Cl)ccc(-c2cnc(OC(F)F)cn2)c1F
InChIInChI=1S/C11H6ClF3N2O2/c12-6-2-1-5(9(13)10(6)18)7-3-17-8(4-16-7)19-11(14)15/h1-4,11,18H
InChIKeyGAFXJMJDTLBUEG-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.24
Rot. Bonds3

About 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol

6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol (PubChem CID 178073095) has the molecular formula C11H6ClF3N2O2 and a molecular weight of 290.63 g/mol. Its IUPAC name is 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol.

Molecular Properties

Compound Name6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol
PubChem CID178073095
Molecular FormulaC11H6ClF3N2O2
Molecular Weight290.63 g/mol
Exact Mass290.01
IUPAC Name6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol
SMILESOc1c(Cl)ccc(-c2cnc(OC(F)F)cn2)c1F
InChIInChI=1S/C11H6ClF3N2O2/c12-6-2-1-5(9(13)10(6)18)7-3-17-8(4-16-7)19-11(14)15/h1-4,11,18H
InChIKeyGAFXJMJDTLBUEG-UHFFFAOYSA-N
XLogP3.24
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-3-fluoro-2H-indazole
CID 178073356
7-chloro-4-[5-(difluoromethoxy)pyrazin-2-yl]-1H-indazole
CID 178073465
2-(difluoromethoxy)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazine
CID 178073304
4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1,3-dihydrobenzimidazole-2-thione
CID 178073534
3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-fluoro-1H-indole
CID 178072913
2-(difluoromethoxy)-5-(2-methoxy-4-methylphenyl)pyrazine
CID 178073329
3-bromo-4-[5-(difluoromethoxy)pyrazin-2-yl]-7-methyl-1H-indole
CID 178073123
4-chloro-2-(difluoromethoxy)-5-fluoropyridine
CID 118822771
3-(5-aminopyrazin-2-yl)-6-ethyl-2-fluorophenol
CID 90310579
2-(2,4-dichlorophenyl)-5-(difluoromethoxy)pyridine
CID 170837762
4-cyclopropyl-7-[5-(difluoromethoxy)pyrazin-2-yl]-3H-1,3-benzoxazol-2-one
CID 178073300
3-chloro-5-(4-chloro-2-fluoro-3-methoxyphenyl)-2-(difluoromethyl)pyrazine
CID 178073048

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol?
The IUPAC name of 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol (CID 178073095) is 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol.
What is the SMILES notation for 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol?
The canonical SMILES for 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol is Oc1c(Cl)ccc(-c2cnc(OC(F)F)cn2)c1F.
What is the InChIKey of 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol?
The InChIKey is GAFXJMJDTLBUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2/c12-6-2-1-5(9(13)10(6)18)7-3-17-8(4-16-7)19-11(14)15/h1-4,11,18H.
What are the key properties of 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol?
6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol has a molecular weight of 290.63 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[5-(difluoromethoxy)pyrazin-2-yl]-2-fluorophenol is sourced from PubChem (CID 178073095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).