2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine

C9H9F2N3O2 — CID 86811016

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1N1CCC(F)(F)C1
InChIInChI=1S/C9H9F2N3O2/c10-9(11)3-5-13(6-9)8-7(14(15)16)2-1-4-12-8/h1-2,4H,3,5-6H2
InChIKeyKMNCCNUHBMTODK-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.84
Rot. Bonds2

About 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine

2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine (PubChem CID 86811016) has the molecular formula C9H9F2N3O2 and a molecular weight of 229.19 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
PubChem CID86811016
Molecular FormulaC9H9F2N3O2
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1N1CCC(F)(F)C1
InChIInChI=1S/C9H9F2N3O2/c10-9(11)3-5-13(6-9)8-7(14(15)16)2-1-4-12-8/h1-2,4H,3,5-6H2
InChIKeyKMNCCNUHBMTODK-UHFFFAOYSA-N
XLogP1.84
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.84
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

1-(3-nitro-2-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982982
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999
1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 165448313
1-(bromomethylsulfonyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 83084840
ethane;1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethanone;propane
CID 142827395
2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine
CID 142614244
1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
CID 2806149
methyl-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]borinic acid
CID 20763912
3,3-difluoro-9-(3-nitro-2-pyridinyl)-9-azabicyclo[3.3.1]nonane
CID 126835719
2-amino-1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 61260513
tert-butyl 4-(3-nitro-2-pyridinyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394499

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine (CID 86811016) is 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine is O=[N+]([O-])c1cccnc1N1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine?
The InChIKey is KMNCCNUHBMTODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O2/c10-9(11)3-5-13(6-9)8-7(14(15)16)2-1-4-12-8/h1-2,4H,3,5-6H2.
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine?
2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine has a molecular weight of 229.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine is sourced from PubChem (CID 86811016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).