4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine

C15H14FN3O2 — CID 125136131

IUPAC4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1c1ccncc1
InChIInChI=1S/C15H14FN3O2/c16-12-3-4-14(15(10-12)19(20)21)18-9-1-2-13(18)11-5-7-17-8-6-11/h3-8,10,13H,1-2,9H2/t13-/m0/s1
InChIKeyVJFQHTGYFNTZSJ-ZDUSSCGKSA-N
MW287.29 g/mol
LogP3.47
Rot. Bonds3

About 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine

4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine (PubChem CID 125136131) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine
PubChem CID125136131
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine
SMILESO=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1c1ccncc1
InChIInChI=1S/C15H14FN3O2/c16-12-3-4-14(15(10-12)19(20)21)18-9-1-2-13(18)11-5-7-17-8-6-11/h3-8,10,13H,1-2,9H2/t13-/m0/s1
InChIKeyVJFQHTGYFNTZSJ-ZDUSSCGKSA-N
XLogP3.47
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.47
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'}

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Related Compounds

3-nitro-4-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]benzonitrile
CID 125136128
3-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 94521484
3-[1-(4-bromo-2-nitrophenyl)pyrrolidin-2-yl]pyridine
CID 60699203
1-(5-bromo-4-fluoro-2-nitrophenyl)-2-phenylpyrrolidine
CID 118141821
3-nitro-4-(2-pyridin-3-ylpyrrolidin-1-yl)benzonitrile
CID 18100802
4-[1-(4-iodo-2-nitrophenyl)pyrrolidin-2-yl]-1-methylpyrazole
CID 133280914
1-(4-fluoro-2-nitrophenyl)piperidine-4-carbaldehyde
CID 62662917
N-cyclopropyl-1-(4-fluoro-2-nitrophenyl)piperidin-4-amine
CID 133381166
2-[1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133333329
3-[1-(2,4-dinitrophenyl)pyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 51304124
4-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-nitrophenyl]sulfonylmorpholine
CID 43001051
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dinitrophenyl)pyrrolidine
CID 9338660

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine (CID 125136131) is 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine is O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1c1ccncc1.
What is the InChIKey of 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine?
The InChIKey is VJFQHTGYFNTZSJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-3-4-14(15(10-12)19(20)21)18-9-1-2-13(18)11-5-7-17-8-6-11/h3-8,10,13H,1-2,9H2/t13-/m0/s1.
What are the key properties of 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine?
4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine has a molecular weight of 287.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 125136131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).