(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone

C11H8FN3O — CID 82685218

IUPAC(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone
SMILESNc1ccc(F)cc1C(=O)c1cnccn1
InChIInChI=1S/C11H8FN3O/c12-7-1-2-9(13)8(5-7)11(16)10-6-14-3-4-15-10/h1-6H,13H2
InChIKeyYTNZTWWSNYZERD-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.43
Rot. Bonds2

About (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone

(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone (PubChem CID 82685218) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone
PubChem CID82685218
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone
SMILESNc1ccc(F)cc1C(=O)c1cnccn1
InChIInChI=1S/C11H8FN3O/c12-7-1-2-9(13)8(5-7)11(16)10-6-14-3-4-15-10/h1-6H,13H2
InChIKeyYTNZTWWSNYZERD-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone
CID 116547270
(2,3-difluorophenyl)-pyrazin-2-ylmethanone
CID 63987968
(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103130515
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
(2,3-dichlorophenyl)-pyrazin-2-ylmethanone
CID 62790951
(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
CID 102752335
(5-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanone
CID 105095344
(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114642162

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone?
The IUPAC name of (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone (CID 82685218) is (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone is Nc1ccc(F)cc1C(=O)c1cnccn1.
What is the InChIKey of (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone?
The InChIKey is YTNZTWWSNYZERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-7-1-2-9(13)8(5-7)11(16)10-6-14-3-4-15-10/h1-6H,13H2.
What are the key properties of (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone?
(2-amino-5-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 (2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 82685218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).