(5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate

C11H6FN3O4 — CID 52893814

IUPAC(5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate
SMILESO=C(Oc1cc(F)ccc1[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C11H6FN3O4/c12-7-1-2-9(15(17)18)10(5-7)19-11(16)8-6-13-3-4-14-8/h1-6H
InChIKeyDFCSSIOCFDJYTP-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.74
Rot. Bonds3

About (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate

(5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate (PubChem CID 52893814) has the molecular formula C11H6FN3O4 and a molecular weight of 263.18 g/mol. Its IUPAC name is (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate.

Molecular Properties

Compound Name(5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate
PubChem CID52893814
Molecular FormulaC11H6FN3O4
Molecular Weight263.18 g/mol
Exact Mass263.03
IUPAC Name(5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate
SMILESO=C(Oc1cc(F)ccc1[N+](=O)[O-])c1cnccn1
InChIInChI=1S/C11H6FN3O4/c12-7-1-2-9(15(17)18)10(5-7)19-11(16)8-6-13-3-4-14-8/h1-6H
InChIKeyDFCSSIOCFDJYTP-UHFFFAOYSA-N
XLogP1.74
TPSA95.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 66458082
(5-fluoro-2-nitrophenyl) 3-methoxybenzoate
CID 530765
3-(5-fluoro-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62701072
(5-fluoro-2-nitrophenyl) 5-methylthiophene-2-carboxylate
CID 47097369
(5-fluoro-2-nitrophenyl) 5-fluoro-1-benzothiophene-2-carboxylate
CID 9455300
N-(3-fluoro-4-nitrophenyl)pyrazine-2-carboxamide
CID 110461743
ethyl (5-fluoro-2-nitrophenyl) carbonate
CID 91722650
(5-fluoro-2-nitrophenyl) 3-chloro-4,5-dimethoxybenzoate
CID 55333701
(5-fluoro-2-nitrophenyl) 4-pyrrol-1-ylbenzoate
CID 9455312
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
1-O-ethyl 3-O-(5-fluoro-2-nitrophenyl) benzene-1,3-dicarboxylate
CID 91727008
(5-fluoro-2-nitrophenyl) 2-methylpentanoate
CID 75981586

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate?
The IUPAC name of (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate (CID 52893814) is (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate.
What is the SMILES notation for (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate?
The canonical SMILES for (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate is O=C(Oc1cc(F)ccc1[N+](=O)[O-])c1cnccn1.
What is the InChIKey of (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate?
The InChIKey is DFCSSIOCFDJYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O4/c12-7-1-2-9(15(17)18)10(5-7)19-11(16)8-6-13-3-4-14-8/h1-6H.
What are the key properties of (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate?
(5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate has a molecular weight of 263.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-nitrophenyl) pyrazine-2-carboxylate is sourced from PubChem (CID 52893814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).