[3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate

C12H9F2N3O3 — CID 172718265

IUPAC[3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate
SMILESO=C(OCc1ncccc1OC(F)F)c1cnccn1
InChIInChI=1S/C12H9F2N3O3/c13-12(14)20-10-2-1-3-16-9(10)7-19-11(18)8-6-15-4-5-17-8/h1-6,12H,7H2
InChIKeyGDQOMIOPRPZHCL-UHFFFAOYSA-N
MW281.22 g/mol
LogP1.83
Rot. Bonds5

About [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate

[3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate (PubChem CID 172718265) has the molecular formula C12H9F2N3O3 and a molecular weight of 281.22 g/mol. Its IUPAC name is [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name[3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate
PubChem CID172718265
Molecular FormulaC12H9F2N3O3
Molecular Weight281.22 g/mol
Exact Mass281.06
IUPAC Name[3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate
SMILESO=C(OCc1ncccc1OC(F)F)c1cnccn1
InChIInChI=1S/C12H9F2N3O3/c13-12(14)20-10-2-1-3-16-9(10)7-19-11(18)8-6-15-4-5-17-8/h1-6,12H,7H2
InChIKeyGDQOMIOPRPZHCL-UHFFFAOYSA-N
XLogP1.83
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-Chloro-3-pyridinyl) pyrazine-2-carboxylate
CID 16204424
pyrazin-2-yl-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone
CID 75536892
2-[3-(Pyridin-3-yloxy)pyrrolidine-1-carbonyl]pyrazine
CID 110196240
2-Methyl-5-[3-(pyridin-3-yloxy)pyrrolidine-1-carbonyl]pyrazine
CID 110196254
[1-(2-Methoxyphenyl)triazol-4-yl]methyl pyrazine-2-carboxylate
CID 172442371
[1-(4-Methoxyphenyl)triazol-4-yl]methyl pyrazine-2-carboxylate
CID 172446456
[2-Oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 5-methylpyrazine-2-carboxylate
CID 2353500
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2429489
(4-Fluorophenyl) quinoxaline-2-carboxylate
CID 29849692
5-(Pyridin-2-ylmethoxy)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
CID 68797946
Ethyl 3-(difluoromethoxy)pyridine-2-carboxylate
CID 69379704
Methyl 5-(2,4-difluorophenoxy)pyrazine-2-carboxylate
CID 108254815

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate?
The IUPAC name of [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate (CID 172718265) is [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate.
What is the SMILES notation for [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate?
The canonical SMILES for [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate is O=C(OCc1ncccc1OC(F)F)c1cnccn1.
What is the InChIKey of [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate?
The InChIKey is GDQOMIOPRPZHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O3/c13-12(14)20-10-2-1-3-16-9(10)7-19-11(18)8-6-15-4-5-17-8/h1-6,12H,7H2.
What are the key properties of [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate?
[3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate has a molecular weight of 281.22 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-2-pyridinyl]methyl pyrazine-2-carboxylate is sourced from PubChem (CID 172718265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).