3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine

C11H17FN2 — CID 135135496

IUPAC3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
SMILESCC1=C(CC2CCNC2)NCC(F)=C1
InChIInChI=1S/C11H17FN2/c1-8-4-10(12)7-14-11(8)5-9-2-3-13-6-9/h4,9,13-14H,2-3,5-7H2,1H3
InChIKeyHPVSVAYCAJLEDF-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.72
Rot. Bonds2

About 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine

3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine (PubChem CID 135135496) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
PubChem CID135135496
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
SMILESCC1=C(CC2CCNC2)NCC(F)=C1
InChIInChI=1S/C11H17FN2/c1-8-4-10(12)7-14-11(8)5-9-2-3-13-6-9/h4,9,13-14H,2-3,5-7H2,1H3
InChIKeyHPVSVAYCAJLEDF-UHFFFAOYSA-N
XLogP1.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
The IUPAC name of 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine (CID 135135496) is 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine is CC1=C(CC2CCNC2)NCC(F)=C1.
What is the InChIKey of 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
The InChIKey is HPVSVAYCAJLEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8-4-10(12)7-14-11(8)5-9-2-3-13-6-9/h4,9,13-14H,2-3,5-7H2,1H3.
What are the key properties of 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine?
3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine has a molecular weight of 196.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine is sourced from PubChem (CID 135135496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).