5-fluoro-3,6-dimethyl-1,2-dihydropyridine

C7H10FN — CID 89016448

IUPAC5-fluoro-3,6-dimethyl-1,2-dihydropyridine
SMILESCC1=CC(F)=C(C)NC1
InChIInChI=1S/C7H10FN/c1-5-3-7(8)6(2)9-4-5/h3,9H,4H2,1-2H3
InChIKeyQPUFCHBRODFDHX-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.74
Rot. Bonds

About 5-fluoro-3,6-dimethyl-1,2-dihydropyridine

5-fluoro-3,6-dimethyl-1,2-dihydropyridine (PubChem CID 89016448) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 5-fluoro-3,6-dimethyl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-fluoro-3,6-dimethyl-1,2-dihydropyridine
PubChem CID89016448
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name5-fluoro-3,6-dimethyl-1,2-dihydropyridine
SMILESCC1=CC(F)=C(C)NC1
InChIInChI=1S/C7H10FN/c1-5-3-7(8)6(2)9-4-5/h3,9H,4H2,1-2H3
InChIKeyQPUFCHBRODFDHX-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,6-dimethyl-1,2-dihydropyridine?
The IUPAC name of 5-fluoro-3,6-dimethyl-1,2-dihydropyridine (CID 89016448) is 5-fluoro-3,6-dimethyl-1,2-dihydropyridine.
What is the SMILES notation for 5-fluoro-3,6-dimethyl-1,2-dihydropyridine?
The canonical SMILES for 5-fluoro-3,6-dimethyl-1,2-dihydropyridine is CC1=CC(F)=C(C)NC1.
What is the InChIKey of 5-fluoro-3,6-dimethyl-1,2-dihydropyridine?
The InChIKey is QPUFCHBRODFDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c1-5-3-7(8)6(2)9-4-5/h3,9H,4H2,1-2H3.
What are the key properties of 5-fluoro-3,6-dimethyl-1,2-dihydropyridine?
5-fluoro-3,6-dimethyl-1,2-dihydropyridine has a molecular weight of 127.16 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,6-dimethyl-1,2-dihydropyridine is sourced from PubChem (CID 89016448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).