3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide

C11H7BrFN3O2 — CID 55103097

IUPAC3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C11H7BrFN3O2/c12-7-5-6(13)1-2-8(7)18-11-9(10(14)17)15-3-4-16-11/h1-5H,(H2,14,17)
InChIKeyMQOYNCRDLCNPCQ-UHFFFAOYSA-N
MW312.10 g/mol
LogP2.27
Rot. Bonds3

About 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide

3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide (PubChem CID 55103097) has the molecular formula C11H7BrFN3O2 and a molecular weight of 312.10 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide
PubChem CID55103097
Molecular FormulaC11H7BrFN3O2
Molecular Weight312.10 g/mol
Exact Mass310.97
IUPAC Name3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C11H7BrFN3O2/c12-7-5-6(13)1-2-8(7)18-11-9(10(14)17)15-3-4-16-11/h1-5H,(H2,14,17)
InChIKeyMQOYNCRDLCNPCQ-UHFFFAOYSA-N
XLogP2.27
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 60722701
3-(2-bromo-4-fluorophenoxy)-1H-pyrazin-2-one
CID 114570730
3-(2-bromo-4-chlorophenoxy)pyrazine-2-carbothioamide
CID 62683633
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983
3-(2-chloro-5-fluorophenoxy)pyrazine-2-carbothioamide
CID 114264253
5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline
CID 106536941
4-(2-bromo-4-fluorophenoxy)-2-methylpyrimidine-5-carboxylic acid
CID 114213818
[3-(2-bromo-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507794
3-methoxypyrazine-2-carboxamide
CID 12571039
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
6-(2-bromo-4-fluorophenoxy)pyridazine-3-carboxylic acid
CID 54919489

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide?
The IUPAC name of 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide (CID 55103097) is 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide?
The canonical SMILES for 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide is NC(=O)c1nccnc1Oc1ccc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide?
The InChIKey is MQOYNCRDLCNPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFN3O2/c12-7-5-6(13)1-2-8(7)18-11-9(10(14)17)15-3-4-16-11/h1-5H,(H2,14,17).
What are the key properties of 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide?
3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide has a molecular weight of 312.10 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 55103097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).