2-fluoro-4-(6-methoxypyrazin-2-yl)aniline

C11H10FN3O — CID 139503395

IUPAC2-fluoro-4-(6-methoxypyrazin-2-yl)aniline
SMILESCOc1cncc(-c2ccc(N)c(F)c2)n1
InChIInChI=1S/C11H10FN3O/c1-16-11-6-14-5-10(15-11)7-2-3-9(13)8(12)4-7/h2-6H,13H2,1H3
InChIKeyATDSVIFHVVMFDO-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.87
Rot. Bonds2

About 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline

2-fluoro-4-(6-methoxypyrazin-2-yl)aniline (PubChem CID 139503395) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(6-methoxypyrazin-2-yl)aniline
PubChem CID139503395
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-fluoro-4-(6-methoxypyrazin-2-yl)aniline
SMILESCOc1cncc(-c2ccc(N)c(F)c2)n1
InChIInChI=1S/C11H10FN3O/c1-16-11-6-14-5-10(15-11)7-2-3-9(13)8(12)4-7/h2-6H,13H2,1H3
InChIKeyATDSVIFHVVMFDO-UHFFFAOYSA-N
XLogP1.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline?
The IUPAC name of 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline (CID 139503395) is 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline.
What is the SMILES notation for 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline?
The canonical SMILES for 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline is COc1cncc(-c2ccc(N)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline?
The InChIKey is ATDSVIFHVVMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-16-11-6-14-5-10(15-11)7-2-3-9(13)8(12)4-7/h2-6H,13H2,1H3.
What are the key properties of 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline?
2-fluoro-4-(6-methoxypyrazin-2-yl)aniline has a molecular weight of 219.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(6-methoxypyrazin-2-yl)aniline is sourced from PubChem (CID 139503395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).