6-fluoro-3-methyl-1,2-dihydropyridine

C6H8FN — CID 144821213

IUPAC6-fluoro-3-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(F)NC1
InChIInChI=1S/C6H8FN/c1-5-2-3-6(7)8-4-5/h2-3,8H,4H2,1H3
InChIKeyNMSXVVJJTMKJAQ-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.35
Rot. Bonds

About 6-fluoro-3-methyl-1,2-dihydropyridine

6-fluoro-3-methyl-1,2-dihydropyridine (PubChem CID 144821213) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 6-fluoro-3-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-fluoro-3-methyl-1,2-dihydropyridine
PubChem CID144821213
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name6-fluoro-3-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(F)NC1
InChIInChI=1S/C6H8FN/c1-5-2-3-6(7)8-4-5/h2-3,8H,4H2,1H3
InChIKeyNMSXVVJJTMKJAQ-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-1,2-dihydropyridine?
The IUPAC name of 6-fluoro-3-methyl-1,2-dihydropyridine (CID 144821213) is 6-fluoro-3-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-fluoro-3-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-fluoro-3-methyl-1,2-dihydropyridine is CC1=CC=C(F)NC1.
What is the InChIKey of 6-fluoro-3-methyl-1,2-dihydropyridine?
The InChIKey is NMSXVVJJTMKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-2-3-6(7)8-4-5/h2-3,8H,4H2,1H3.
What are the key properties of 6-fluoro-3-methyl-1,2-dihydropyridine?
6-fluoro-3-methyl-1,2-dihydropyridine has a molecular weight of 113.13 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-1,2-dihydropyridine is sourced from PubChem (CID 144821213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).