3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine

C10H11F2N3O2 — CID 86811032

IUPAC3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine
SMILESO=[N+]([O-])c1ccncc1N1CCCC(F)(F)C1
InChIInChI=1S/C10H11F2N3O2/c11-10(12)3-1-5-14(7-10)9-6-13-4-2-8(9)15(16)17/h2,4,6H,1,3,5,7H2
InChIKeyAPKZTQZMZZRFFW-UHFFFAOYSA-N
MW243.21 g/mol
LogP2.23
Rot. Bonds2

About 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine

3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine (PubChem CID 86811032) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine.

Molecular Properties

Compound Name3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine
PubChem CID86811032
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine
SMILESO=[N+]([O-])c1ccncc1N1CCCC(F)(F)C1
InChIInChI=1S/C10H11F2N3O2/c11-10(12)3-1-5-14(7-10)9-6-13-4-2-8(9)15(16)17/h2,4,6H,1,3,5,7H2
InChIKeyAPKZTQZMZZRFFW-UHFFFAOYSA-N
XLogP2.23
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.23
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

3,3-difluoro-1-(4-fluoro-2-nitrophenyl)piperidine
CID 86810649
3-methyl-1-(3-nitro-4-pyridinyl)piperidine-3-carboxylic acid
CID 63136298
1-[3-methyl-1-(3-nitro-4-pyridinyl)piperidin-3-yl]ethenol
CID 89240878
2-(3,3-difluoropiperidin-1-yl)-4-nitrobenzaldehyde
CID 71651577
1-benzyl-4-(4-nitro-3-pyridinyl)piperazine
CID 71651530
1-(4-bromo-2-nitrophenyl)-3,3-difluoropyrrolidine
CID 86810728
2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
CID 86811016
4-(3,3-difluoropiperidin-1-yl)-3-nitrobenzoic acid;4-(2-methylpiperidin-1-yl)-3-nitrobenzoic acid
CID 87433394
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-nitro-3-pyridinyl)piperazine-2-carboxylic acid
CID 86811031
3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 114288722
1-(3-nitro-4-pyridinyl)piperidin-4-one
CID 28889589
1-(3-bromo-2-nitrophenyl)-3,3-difluoropyrrolidine
CID 86810692

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine?
The IUPAC name of 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine (CID 86811032) is 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine.
What is the SMILES notation for 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine?
The canonical SMILES for 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine is O=[N+]([O-])c1ccncc1N1CCCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine?
The InChIKey is APKZTQZMZZRFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c11-10(12)3-1-5-14(7-10)9-6-13-4-2-8(9)15(16)17/h2,4,6H,1,3,5,7H2.
What are the key properties of 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine?
3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine has a molecular weight of 243.21 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropiperidin-1-yl)-4-nitropyridine is sourced from PubChem (CID 86811032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).