5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine

C10H10BrF2N3O2 — CID 171484721

IUPAC5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Br)cc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H10BrF2N3O2/c11-7-5-8(9(14-6-7)16(17)18)15-3-1-10(12,13)2-4-15/h5-6H,1-4H2
InChIKeyXXDXZRWOWBFTKV-UHFFFAOYSA-N
MW322.11 g/mol
LogP2.99
Rot. Bonds2

About 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine

5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine (PubChem CID 171484721) has the molecular formula C10H10BrF2N3O2 and a molecular weight of 322.11 g/mol. Its IUPAC name is 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine.

Molecular Properties

Compound Name5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine
PubChem CID171484721
Molecular FormulaC10H10BrF2N3O2
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine
SMILESO=[N+]([O-])c1ncc(Br)cc1N1CCC(F)(F)CC1
InChIInChI=1S/C10H10BrF2N3O2/c11-7-5-8(9(14-6-7)16(17)18)15-3-1-10(12,13)2-4-15/h5-6H,1-4H2
InChIKeyXXDXZRWOWBFTKV-UHFFFAOYSA-N
XLogP2.99
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 52.99
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

5-Nitro-2-piperidinopyridine
CID 97158
N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 2727273
5-bromo-2-nitro-N-phenylpyridin-3-amine
CID 2842429
1-(2-Fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 3272115
1-(2-Fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 3591384
3,5-Bisnitro-2-(1-piperidinyl)pyridine
CID 616531
2-Amino-5-bromo-3-nitropyridine
CID 138878
3-Bromo-2-nitropyridine
CID 594044
1-(4-Fluorophenyl)-4-(5-nitropyridin-2-yl)piperazine
CID 3814971
5-(3,5-Dimethylpiperidin-1-yl)-2-nitropyridine
CID 4780110
1-(4-Fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 4521024
3-Nitro-2-(piperidin-1-YL)pyridine
CID 605297

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine?
The IUPAC name of 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine (CID 171484721) is 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine.
What is the SMILES notation for 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine?
The canonical SMILES for 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine is O=[N+]([O-])c1ncc(Br)cc1N1CCC(F)(F)CC1.
What is the InChIKey of 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine?
The InChIKey is XXDXZRWOWBFTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3O2/c11-7-5-8(9(14-6-7)16(17)18)15-3-1-10(12,13)2-4-15/h5-6H,1-4H2.
What are the key properties of 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine?
5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine has a molecular weight of 322.11 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4,4-difluoropiperidin-1-yl)-2-nitropyridine is sourced from PubChem (CID 171484721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).