6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine

C11H17FN2 — CID 90305531

IUPAC6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine
SMILESCC1C=CC=C(CN2CCC(F)C2)N1
InChIInChI=1S/C11H17FN2/c1-9-3-2-4-11(13-9)8-14-6-5-10(12)7-14/h2-4,9-10,13H,5-8H2,1H3
InChIKeyYGQPDMFVNMSYKN-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.46
Rot. Bonds2

About 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine

6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine (PubChem CID 90305531) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine
PubChem CID90305531
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine
SMILESCC1C=CC=C(CN2CCC(F)C2)N1
InChIInChI=1S/C11H17FN2/c1-9-3-2-4-11(13-9)8-14-6-5-10(12)7-14/h2-4,9-10,13H,5-8H2,1H3
InChIKeyYGQPDMFVNMSYKN-UHFFFAOYSA-N
XLogP1.46
TPSA15.27 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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine?
The IUPAC name of 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine (CID 90305531) is 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine is CC1C=CC=C(CN2CCC(F)C2)N1.
What is the InChIKey of 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine?
The InChIKey is YGQPDMFVNMSYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-9-3-2-4-11(13-9)8-14-6-5-10(12)7-14/h2-4,9-10,13H,5-8H2,1H3.
What are the key properties of 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine?
6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine has a molecular weight of 196.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine is sourced from PubChem (CID 90305531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).