2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine

C11H17FN2 — CID 135135096

IUPAC2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
SMILESCC1=NC(F)CC(CC2CCNC2)=C1
InChIInChI=1S/C11H17FN2/c1-8-4-10(6-11(12)14-8)5-9-2-3-13-7-9/h4,9,11,13H,2-3,5-7H2,1H3
InChIKeyZTWKUTFAPFJSTA-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.07
Rot. Bonds2

About 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine

2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine (PubChem CID 135135096) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
PubChem CID135135096
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine
SMILESCC1=NC(F)CC(CC2CCNC2)=C1
InChIInChI=1S/C11H17FN2/c1-8-4-10(6-11(12)14-8)5-9-2-3-13-7-9/h4,9,11,13H,2-3,5-7H2,1H3
InChIKeyZTWKUTFAPFJSTA-UHFFFAOYSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
The IUPAC name of 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine (CID 135135096) is 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine is CC1=NC(F)CC(CC2CCNC2)=C1.
What is the InChIKey of 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
The InChIKey is ZTWKUTFAPFJSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8-4-10(6-11(12)14-8)5-9-2-3-13-7-9/h4,9,11,13H,2-3,5-7H2,1H3.
What are the key properties of 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine?
2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine has a molecular weight of 196.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-4-(pyrrolidin-3-ylmethyl)-2,3-dihydropyridine is sourced from PubChem (CID 135135096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).