methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate

C11H9FN4O2 — CID 171524881

IUPACmethyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)nc2)cnc1N
InChIInChI=1S/C11H9FN4O2/c1-18-11(17)9-10(13)15-5-7(16-9)6-2-3-8(12)14-4-6/h2-5H,1H3,(H2,13,15)
InChIKeyFODXPHOLFPLDRB-UHFFFAOYSA-N
MW248.22 g/mol
LogP1.05
Rot. Bonds2

About methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate

methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate (PubChem CID 171524881) has the molecular formula C11H9FN4O2 and a molecular weight of 248.22 g/mol. Its IUPAC name is methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate
PubChem CID171524881
Molecular FormulaC11H9FN4O2
Molecular Weight248.22 g/mol
Exact Mass248.07
IUPAC Namemethyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(F)nc2)cnc1N
InChIInChI=1S/C11H9FN4O2/c1-18-11(17)9-10(13)15-5-7(16-9)6-2-3-8(12)14-4-6/h2-5H,1H3,(H2,13,15)
InChIKeyFODXPHOLFPLDRB-UHFFFAOYSA-N
XLogP1.05
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-6-[4-(hydroxymethyl)phenyl]pyrazine-2-carboxylate
CID 156816726
methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
CID 170459078
methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate
CID 68651564
methyl 5-(6-fluoro-3-pyridinyl)pyridine-3-carboxylate
CID 169408037
methyl 3-amino-6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrazine-2-carboxylate
CID 58710604
methyl 2-[3-amino-6-(4-fluorophenyl)pyrazin-2-yl]acetate
CID 71051747
methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
CID 22677295
3-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxamide
CID 171525151
(3-hydroxyphenyl)boronic acid;methyl 3-amino-6-bromopyrazine-2-carboxylate;methyl 3-amino-6-(3-hydroxyphenyl)pyrazine-2-carboxylate
CID 165094552
1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 155817766

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate (CID 171524881) is methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2ccc(F)nc2)cnc1N.
What is the InChIKey of methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate?
The InChIKey is FODXPHOLFPLDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O2/c1-18-11(17)9-10(13)15-5-7(16-9)6-2-3-8(12)14-4-6/h2-5H,1H3,(H2,13,15).
What are the key properties of methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate has a molecular weight of 248.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxylate is sourced from PubChem (CID 171524881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).