methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate

C7H6ClF2N3O2 — CID 166484804

IUPACmethyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)c(Cl)nc1N
InChIInChI=1S/C7H6ClF2N3O2/c1-15-7(14)3-6(11)13-4(8)2(12-3)5(9)10/h5H,1H3,(H2,11,13)
InChIKeyUBTSFCAIBRYTOC-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.44
Rot. Bonds2

About methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate

methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate (PubChem CID 166484804) has the molecular formula C7H6ClF2N3O2 and a molecular weight of 237.59 g/mol. Its IUPAC name is methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate
PubChem CID166484804
Molecular FormulaC7H6ClF2N3O2
Molecular Weight237.59 g/mol
Exact Mass237.01
IUPAC Namemethyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C(F)F)c(Cl)nc1N
InChIInChI=1S/C7H6ClF2N3O2/c1-15-7(14)3-6(11)13-4(8)2(12-3)5(9)10/h5H,1H3,(H2,11,13)
InChIKeyUBTSFCAIBRYTOC-UHFFFAOYSA-N
XLogP1.44
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate (CID 166484804) is methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate is COC(=O)c1nc(C(F)F)c(Cl)nc1N.
What is the InChIKey of methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate?
The InChIKey is UBTSFCAIBRYTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3O2/c1-15-7(14)3-6(11)13-4(8)2(12-3)5(9)10/h5H,1H3,(H2,11,13).
What are the key properties of methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate?
methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate has a molecular weight of 237.59 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-chloro-6-(difluoromethyl)pyrazine-2-carboxylate is sourced from PubChem (CID 166484804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).