5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine

C13H12FN3 — CID 144625171

IUPAC5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine
SMILESC=Cc1cnc(Nc2ccc(F)cn2)cc1C
InChIInChI=1S/C13H12FN3/c1-3-10-7-15-13(6-9(10)2)17-12-5-4-11(14)8-16-12/h3-8H,1H2,2H3,(H,15,16,17)
InChIKeyWLJPMXNDTCVMLH-UHFFFAOYSA-N
MW229.26 g/mol
LogP3.31
Rot. Bonds3

About 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine

5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine (PubChem CID 144625171) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine
PubChem CID144625171
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine
SMILESC=Cc1cnc(Nc2ccc(F)cn2)cc1C
InChIInChI=1S/C13H12FN3/c1-3-10-7-15-13(6-9(10)2)17-12-5-4-11(14)8-16-12/h3-8H,1H2,2H3,(H,15,16,17)
InChIKeyWLJPMXNDTCVMLH-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine?
The IUPAC name of 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine (CID 144625171) is 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine is C=Cc1cnc(Nc2ccc(F)cn2)cc1C.
What is the InChIKey of 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine?
The InChIKey is WLJPMXNDTCVMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c1-3-10-7-15-13(6-9(10)2)17-12-5-4-11(14)8-16-12/h3-8H,1H2,2H3,(H,15,16,17).
What are the key properties of 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine?
5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine has a molecular weight of 229.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-(5-fluoro-2-pyridinyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 144625171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).