2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine

C16H16FN3O2 — CID 153404148

IUPAC2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine
SMILESCC1CC(c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C16H16FN3O2/c1-11-7-15(12-3-2-4-13(17)8-12)19(10-11)16-6-5-14(9-18-16)20(21)22/h2-6,8-9,11,15H,7,10H2,1H3
InChIKeyYUDKYQIHUPXDHT-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.72
Rot. Bonds3

About 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine

2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine (PubChem CID 153404148) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine
PubChem CID153404148
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine
SMILESCC1CC(c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C16H16FN3O2/c1-11-7-15(12-3-2-4-13(17)8-12)19(10-11)16-6-5-14(9-18-16)20(21)22/h2-6,8-9,11,15H,7,10H2,1H3
InChIKeyYUDKYQIHUPXDHT-UHFFFAOYSA-N
XLogP3.72
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine 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

1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 111488985
(2R)-4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
CID 95312194
4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
CID 16796445
(3S,5R)-1-(5-chloro-2-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480765
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129480751
2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine
CID 133334695
(3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine
CID 95973208
(2R,5R)-2,5-dimethyl-4-(5-nitro-2-pyridinyl)piperazine-1-carboxylic acid
CID 170155915
2-(3-fluorophenyl)-N,4-dimethylpyrrolidine-1-carboxamide
CID 136528712
1-(4-fluoro-2-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 133315732
(2S)-2-(3-fluorophenyl)-1-(4-nitrophenyl)sulfonylazepane
CID 95078984
2-amino-1-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]ethanone
CID 119329380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine?
The IUPAC name of 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine (CID 153404148) is 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine?
The canonical SMILES for 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine is CC1CC(c2cccc(F)c2)N(c2ccc([N+](=O)[O-])cn2)C1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine?
The InChIKey is YUDKYQIHUPXDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11-7-15(12-3-2-4-13(17)8-12)19(10-11)16-6-5-14(9-18-16)20(21)22/h2-6,8-9,11,15H,7,10H2,1H3.
What are the key properties of 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine?
2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine has a molecular weight of 301.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine is sourced from PubChem (CID 153404148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).