(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone

C11H8FN3O — CID 116547270

IUPAC(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone
SMILESNc1ccc(C(=O)c2cnccn2)cc1F
InChIInChI=1S/C11H8FN3O/c12-8-5-7(1-2-9(8)13)11(16)10-6-14-3-4-15-10/h1-6H,13H2
InChIKeyUZYVSNPLMBGMCU-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.43
Rot. Bonds2

About (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone

(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone (PubChem CID 116547270) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone
PubChem CID116547270
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone
SMILESNc1ccc(C(=O)c2cnccn2)cc1F
InChIInChI=1S/C11H8FN3O/c12-8-5-7(1-2-9(8)13)11(16)10-6-14-3-4-15-10/h1-6H,13H2
InChIKeyUZYVSNPLMBGMCU-UHFFFAOYSA-N
XLogP1.43
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone
CID 82685218
1,3-dihydro-2-benzofuran-5-yl(pyrazin-2-yl)methanone
CID 114973067
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709294
[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone
CID 116548267
(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone
CID 103214115
(4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone
CID 112747642
(2,3-difluorophenyl)-pyrazin-2-ylmethanone
CID 63987968
(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone
CID 82820337
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
pyridin-4-ylmethyl 4-amino-3-fluorobenzoate
CID 55102687
N-(2-amino-4-chlorophenyl)pyrazine-2-carboxamide
CID 16777409
(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
CID 82809025

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone?
The IUPAC name of (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone (CID 116547270) is (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone is Nc1ccc(C(=O)c2cnccn2)cc1F.
What is the InChIKey of (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone?
The InChIKey is UZYVSNPLMBGMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-8-5-7(1-2-9(8)13)11(16)10-6-14-3-4-15-10/h1-6H,13H2.
What are the key properties of (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone?
(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone has a molecular weight of 217.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 116547270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).