methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate

C7H7ClFN3O2 — CID 166484907

IUPACmethyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate
SMILESCNc1nc(F)c(C(=O)OC)nc1Cl
InChIInChI=1S/C7H7ClFN3O2/c1-10-6-4(8)11-3(5(9)12-6)7(13)14-2/h1-2H3,(H,10,12)
InChIKeyNBKYDPXERJGUDM-UHFFFAOYSA-N
MW219.60 g/mol
LogP1.10
Rot. Bonds2

About methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate

methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate (PubChem CID 166484907) has the molecular formula C7H7ClFN3O2 and a molecular weight of 219.60 g/mol. Its IUPAC name is methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate
PubChem CID166484907
Molecular FormulaC7H7ClFN3O2
Molecular Weight219.60 g/mol
Exact Mass219.02
IUPAC Namemethyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate
SMILESCNc1nc(F)c(C(=O)OC)nc1Cl
InChIInChI=1S/C7H7ClFN3O2/c1-10-6-4(8)11-3(5(9)12-6)7(13)14-2/h1-2H3,(H,10,12)
InChIKeyNBKYDPXERJGUDM-UHFFFAOYSA-N
XLogP1.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.60
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate (CID 166484907) is methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate is CNc1nc(F)c(C(=O)OC)nc1Cl.
What is the InChIKey of methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate?
The InChIKey is NBKYDPXERJGUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3O2/c1-10-6-4(8)11-3(5(9)12-6)7(13)14-2/h1-2H3,(H,10,12).
What are the key properties of methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate?
methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate has a molecular weight of 219.60 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-3-fluoro-5-(methylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 166484907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).