3-fluoro-2,6-dimethyl-3,4-dihydropyridine

C7H10FN — CID 134593926

IUPAC3-fluoro-2,6-dimethyl-3,4-dihydropyridine
SMILESCC1=CCC(F)C(C)=N1
InChIInChI=1S/C7H10FN/c1-5-3-4-7(8)6(2)9-5/h3,7H,4H2,1-2H3
InChIKeyXBLUBMVSQDYIID-UHFFFAOYSA-N
MW127.16 g/mol
LogP2.09
Rot. Bonds

About 3-fluoro-2,6-dimethyl-3,4-dihydropyridine

3-fluoro-2,6-dimethyl-3,4-dihydropyridine (PubChem CID 134593926) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 3-fluoro-2,6-dimethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-2,6-dimethyl-3,4-dihydropyridine
PubChem CID134593926
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name3-fluoro-2,6-dimethyl-3,4-dihydropyridine
SMILESCC1=CCC(F)C(C)=N1
InChIInChI=1S/C7H10FN/c1-5-3-4-7(8)6(2)9-5/h3,7H,4H2,1-2H3
InChIKeyXBLUBMVSQDYIID-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5Hlutidine
CID 53805573
6-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68384839
3-Fluoro-6-methyl-3,4-dihydropyridine
CID 89071510
6-Fluoro-2-methyl-3,4-dihydropyridine
CID 89769335
2-Methyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 91155360
2-Fluoro-6-methyl-3,4-dihydropyridine
CID 117732618
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
6-Ethyl-4-fluoro-3,4-dihydropyridine
CID 143491679
2-Ethyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 147011551
2-(Fluoromethyl)-6-methyl-3,4-dihydropyridine
CID 170610964
6-Ethyl-2-fluoro-3,4-dihydropyridine
CID 176665644
1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine
CID 168972393

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,6-dimethyl-3,4-dihydropyridine?
The IUPAC name of 3-fluoro-2,6-dimethyl-3,4-dihydropyridine (CID 134593926) is 3-fluoro-2,6-dimethyl-3,4-dihydropyridine.
What is the SMILES notation for 3-fluoro-2,6-dimethyl-3,4-dihydropyridine?
The canonical SMILES for 3-fluoro-2,6-dimethyl-3,4-dihydropyridine is CC1=CCC(F)C(C)=N1.
What is the InChIKey of 3-fluoro-2,6-dimethyl-3,4-dihydropyridine?
The InChIKey is XBLUBMVSQDYIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-4-7(8)6(2)9-5/h3,7H,4H2,1-2H3.
What are the key properties of 3-fluoro-2,6-dimethyl-3,4-dihydropyridine?
3-fluoro-2,6-dimethyl-3,4-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,6-dimethyl-3,4-dihydropyridine is sourced from PubChem (CID 134593926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).