methyl 6-(difluoromethyl)pyrazine-2-carboxylate

C7H6F2N2O2 — CID 122440931

IUPACmethyl 6-(difluoromethyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(C(F)F)n1
InChIInChI=1S/C7H6F2N2O2/c1-13-7(12)5-3-10-2-4(11-5)6(8)9/h2-3,6H,1H3
InChIKeyOVAMNDDPCTWDHT-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.20
Rot. Bonds2

About methyl 6-(difluoromethyl)pyrazine-2-carboxylate

methyl 6-(difluoromethyl)pyrazine-2-carboxylate (PubChem CID 122440931) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is methyl 6-(difluoromethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(difluoromethyl)pyrazine-2-carboxylate
PubChem CID122440931
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Namemethyl 6-(difluoromethyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(C(F)F)n1
InChIInChI=1S/C7H6F2N2O2/c1-13-7(12)5-3-10-2-4(11-5)6(8)9/h2-3,6H,1H3
InChIKeyOVAMNDDPCTWDHT-UHFFFAOYSA-N
XLogP1.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(difluoromethyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(difluoromethyl)pyrazine-2-carboxylate (CID 122440931) is methyl 6-(difluoromethyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(difluoromethyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(difluoromethyl)pyrazine-2-carboxylate is COC(=O)c1cncc(C(F)F)n1.
What is the InChIKey of methyl 6-(difluoromethyl)pyrazine-2-carboxylate?
The InChIKey is OVAMNDDPCTWDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c1-13-7(12)5-3-10-2-4(11-5)6(8)9/h2-3,6H,1H3.
What are the key properties of methyl 6-(difluoromethyl)pyrazine-2-carboxylate?
methyl 6-(difluoromethyl)pyrazine-2-carboxylate has a molecular weight of 188.13 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(difluoromethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 122440931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).