5-fluoro-3,6-dimethyl-2,3-dihydropyridine

C7H10FN — CID 146561026

IUPAC5-fluoro-3,6-dimethyl-2,3-dihydropyridine
SMILESCC1=NCC(C)C=C1F
InChIInChI=1S/C7H10FN/c1-5-3-7(8)6(2)9-4-5/h3,5H,4H2,1-2H3
InChIKeyDHAIKPCGTABERR-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.95
Rot. Bonds

About 5-fluoro-3,6-dimethyl-2,3-dihydropyridine

5-fluoro-3,6-dimethyl-2,3-dihydropyridine (PubChem CID 146561026) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-fluoro-3,6-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-3,6-dimethyl-2,3-dihydropyridine
PubChem CID146561026
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-fluoro-3,6-dimethyl-2,3-dihydropyridine
SMILESCC1=NCC(C)C=C1F
InChIInChI=1S/C7H10FN/c1-5-3-7(8)6(2)9-4-5/h3,5H,4H2,1-2H3
InChIKeyDHAIKPCGTABERR-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
(2S)-5-fluoro-2,6-dimethyl-2,3-dihydropyridine
CID 67991606
(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
CID 67991648
2-Fluoro-3-methyl-2,3-dihydropyridine
CID 68374972
2-(Fluoromethyl)-6-methyl-2,3-dihydropyridine
CID 70459540
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
5,6-Difluoro-3-methyl-2,3-dihydropyridine
CID 90697100
6-Ethyl-5-fluoro-3-methyl-2,3-dihydropyridine
CID 91228283
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
6-Fluoro-3-methyl-2,3-dihydropyridine
CID 123919099
(E)-3-fluoro-N-(2-methylbutyl)pent-3-en-2-imine
CID 137538512
(Z)-4-fluoro-N-methylpent-3-en-2-imine
CID 144484430

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,6-dimethyl-2,3-dihydropyridine?
The IUPAC name of 5-fluoro-3,6-dimethyl-2,3-dihydropyridine (CID 146561026) is 5-fluoro-3,6-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 5-fluoro-3,6-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 5-fluoro-3,6-dimethyl-2,3-dihydropyridine is CC1=NCC(C)C=C1F.
What is the InChIKey of 5-fluoro-3,6-dimethyl-2,3-dihydropyridine?
The InChIKey is DHAIKPCGTABERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-7(8)6(2)9-4-5/h3,5H,4H2,1-2H3.
What are the key properties of 5-fluoro-3,6-dimethyl-2,3-dihydropyridine?
5-fluoro-3,6-dimethyl-2,3-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,6-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 146561026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).