3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine

C9H11FN2 — CID 144801090

IUPAC3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine
SMILESC=Cc1c(NC)ncc(F)c1C
InChIInChI=1S/C9H11FN2/c1-4-7-6(2)8(10)5-12-9(7)11-3/h4-5H,1H2,2-3H3,(H,11,12)
InChIKeyKVTIGDYZLYXIPF-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.21
Rot. Bonds2

About 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine

3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine (PubChem CID 144801090) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine
PubChem CID144801090
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine
SMILESC=Cc1c(NC)ncc(F)c1C
InChIInChI=1S/C9H11FN2/c1-4-7-6(2)8(10)5-12-9(7)11-3/h4-5H,1H2,2-3H3,(H,11,12)
InChIKeyKVTIGDYZLYXIPF-UHFFFAOYSA-N
XLogP2.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine?
The IUPAC name of 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine (CID 144801090) is 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine is C=Cc1c(NC)ncc(F)c1C.
What is the InChIKey of 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine?
The InChIKey is KVTIGDYZLYXIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-4-7-6(2)8(10)5-12-9(7)11-3/h4-5H,1H2,2-3H3,(H,11,12).
What are the key properties of 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine?
3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine has a molecular weight of 166.20 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-fluoro-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 144801090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).