2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine

C16H16F2N2 — CID 18182421

IUPAC2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine
SMILESFC1CN(c2cccc(Cc3ccccc3)n2)CC1F
InChIInChI=1S/C16H16F2N2/c17-14-10-20(11-15(14)18)16-8-4-7-13(19-16)9-12-5-2-1-3-6-12/h1-8,14-15H,9-11H2
InChIKeyDDIOQJJYEVYIND-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.17
Rot. Bonds3

About 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine

2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine (PubChem CID 18182421) has the molecular formula C16H16F2N2 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine
PubChem CID18182421
Molecular FormulaC16H16F2N2
Molecular Weight274.31 g/mol
Exact Mass274.13
IUPAC Name2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine
SMILESFC1CN(c2cccc(Cc3ccccc3)n2)CC1F
InChIInChI=1S/C16H16F2N2/c17-14-10-20(11-15(14)18)16-8-4-7-13(19-16)9-12-5-2-1-3-6-12/h1-8,14-15H,9-11H2
InChIKeyDDIOQJJYEVYIND-UHFFFAOYSA-N
XLogP3.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Blonanserin
CID 125564
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
4-(3-Piperidin-1-Ylpropyl)-6-[3-(Trifluoromethyl)phenyl]pyrimidine-2-Carbonitrile
CID 11516307
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
N'-[6-[2-(6-Azanyl-4-Methyl-Pyridin-2-Yl)ethyl]pyridin-2-Yl]-N,N'-Dimethyl-Ethane-1,2-Diamine
CID 91808025
6-(2-{3-Fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
CID 130449136
4-Methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine
CID 130449148
6-(2-{3-[3-(Dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
CID 130449158

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine?
The IUPAC name of 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine (CID 18182421) is 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine.
What is the SMILES notation for 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine?
The canonical SMILES for 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine is FC1CN(c2cccc(Cc3ccccc3)n2)CC1F.
What is the InChIKey of 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine?
The InChIKey is DDIOQJJYEVYIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2/c17-14-10-20(11-15(14)18)16-8-4-7-13(19-16)9-12-5-2-1-3-6-12/h1-8,14-15H,9-11H2.
What are the key properties of 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine?
2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine has a molecular weight of 274.31 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(3,4-difluoropyrrolidin-1-yl)pyridine is sourced from PubChem (CID 18182421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).