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

C11H13F2N3O2 — CID 142614244

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine
SMILESCc1cnc(N2CCC(F)(F)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13F2N3O2/c1-8-6-9(16(17)18)10(14-7-8)15-4-2-11(12,13)3-5-15/h6-7H,2-5H2,1H3
InChIKeyXZPTUOBEDVUUFU-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.53
Rot. Bonds2

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

2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine (PubChem CID 142614244) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine
PubChem CID142614244
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine
SMILESCc1cnc(N2CCC(F)(F)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13F2N3O2/c1-8-6-9(16(17)18)10(14-7-8)15-4-2-11(12,13)3-5-15/h6-7H,2-5H2,1H3
InChIKeyXZPTUOBEDVUUFU-UHFFFAOYSA-N
XLogP2.53
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.53
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

4-(5-methyl-3-nitro-2-pyridinyl)thiomorpholine
CID 142614299
4-ethyl-1-(5-methyl-3-nitro-2-pyridinyl)piperidine-4-carboxylic acid
CID 66278705
1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-ol
CID 66281161
1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66278923
1-(5-methyl-3-nitro-2-pyridinyl)piperidin-3-amine
CID 66279399
N-(cyclopropylmethyl)-1-(5-methyl-3-nitro-2-pyridinyl)piperidin-4-amine
CID 115307507
4-methyl-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 103577513
2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
CID 86811016
1-(5-bromo-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115305468
5-(5-bromo-3-nitro-2-pyridinyl)-5-azaspiro[2.4]heptane
CID 167947252
2,5-dimethyl-3-nitropyridine
CID 12626468
methyl (3S)-1-(5-bromo-3-nitro-2-pyridinyl)-3-fluoropyrrolidine-3-carboxylate
CID 97321251

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine (CID 142614244) is 2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine is Cc1cnc(N2CCC(F)(F)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine?
The InChIKey is XZPTUOBEDVUUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-8-6-9(16(17)18)10(14-7-8)15-4-2-11(12,13)3-5-15/h6-7H,2-5H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine?
2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine has a molecular weight of 257.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine is sourced from PubChem (CID 142614244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).