2-fluoro-4-methyl-1,2-dihydropyridine

C6H8FN — CID 89245132

IUPAC2-fluoro-4-methyl-1,2-dihydropyridine
SMILESCC1=CC(F)NC=C1
InChIInChI=1S/C6H8FN/c1-5-2-3-8-6(7)4-5/h2-4,6,8H,1H3
InChIKeyDQQQZSHCXFXRDV-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.35
Rot. Bonds

About 2-fluoro-4-methyl-1,2-dihydropyridine

2-fluoro-4-methyl-1,2-dihydropyridine (PubChem CID 89245132) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-fluoro-4-methyl-1,2-dihydropyridine
PubChem CID89245132
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name2-fluoro-4-methyl-1,2-dihydropyridine
SMILESCC1=CC(F)NC=C1
InChIInChI=1S/C6H8FN/c1-5-2-3-8-6(7)4-5/h2-4,6,8H,1H3
InChIKeyDQQQZSHCXFXRDV-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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Related Compounds

2-Fluoropicoline
CID 69611625
4-Methyl dihydropyridine
CID 407036
4-(Trifluoromethyl)-1,2-dihydropyridine
CID 18367699
4-Fluoro-1,2-dihydropyridine
CID 18523056
2-Fluoro-1,2-dihydropyridine
CID 18619817
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
2-methylidene-4-(trifluoromethyl)-1H-pyridine
CID 57561963
(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine
CID 88935075
5-Fluoro-4-methyl-1,2-dihydropyridine
CID 89141364
6-Fluoro-4-methyl-1,2-dihydropyridine
CID 89141383
3-Fluoro-4-methyl-1,2-dihydropyridine
CID 89160332
(1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine
CID 89211348

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1,2-dihydropyridine?
The IUPAC name of 2-fluoro-4-methyl-1,2-dihydropyridine (CID 89245132) is 2-fluoro-4-methyl-1,2-dihydropyridine.
What is the SMILES notation for 2-fluoro-4-methyl-1,2-dihydropyridine?
The canonical SMILES for 2-fluoro-4-methyl-1,2-dihydropyridine is CC1=CC(F)NC=C1.
What is the InChIKey of 2-fluoro-4-methyl-1,2-dihydropyridine?
The InChIKey is DQQQZSHCXFXRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-2-3-8-6(7)4-5/h2-4,6,8H,1H3.
What are the key properties of 2-fluoro-4-methyl-1,2-dihydropyridine?
2-fluoro-4-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 2-fluoro-4-methyl-1,2-dihydropyridine is sourced from PubChem (CID 89245132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).