3-fluoro-1-methyl-4H-pyridine

C6H8FN — CID 102267783

IUPAC3-fluoro-1-methyl-4H-pyridine
SMILESCN1C=CCC(F)=C1
InChIInChI=1S/C6H8FN/c1-8-4-2-3-6(7)5-8/h2,4-5H,3H2,1H3
InChIKeyPIBRPAYLMGCRDX-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.65
Rot. Bonds

About 3-fluoro-1-methyl-4H-pyridine

3-fluoro-1-methyl-4H-pyridine (PubChem CID 102267783) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 3-fluoro-1-methyl-4H-pyridine.

Molecular Properties

Compound Name3-fluoro-1-methyl-4H-pyridine
PubChem CID102267783
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name3-fluoro-1-methyl-4H-pyridine
SMILESCN1C=CCC(F)=C1
InChIInChI=1S/C6H8FN/c1-8-4-2-3-6(7)5-8/h2,4-5H,3H2,1H3
InChIKeyPIBRPAYLMGCRDX-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-4H-pyridine?
The IUPAC name of 3-fluoro-1-methyl-4H-pyridine (CID 102267783) is 3-fluoro-1-methyl-4H-pyridine.
What is the SMILES notation for 3-fluoro-1-methyl-4H-pyridine?
The canonical SMILES for 3-fluoro-1-methyl-4H-pyridine is CN1C=CCC(F)=C1.
What is the InChIKey of 3-fluoro-1-methyl-4H-pyridine?
The InChIKey is PIBRPAYLMGCRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-8-4-2-3-6(7)5-8/h2,4-5H,3H2,1H3.
What are the key properties of 3-fluoro-1-methyl-4H-pyridine?
3-fluoro-1-methyl-4H-pyridine has a molecular weight of 113.13 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-4H-pyridine is sourced from PubChem (CID 102267783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).