2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine

C10H12N2O4 — CID 71238219

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine
SMILESCC1(C)OCC(c2ccc([N+](=O)[O-])cn2)O1
InChIInChI=1S/C10H12N2O4/c1-10(2)15-6-9(16-10)8-4-3-7(5-11-8)12(13)14/h3-5,9H,6H2,1-2H3
InChIKeyAVSZFZUKLWAMSD-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.81
Rot. Bonds2

About 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine (PubChem CID 71238219) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine
PubChem CID71238219
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine
SMILESCC1(C)OCC(c2ccc([N+](=O)[O-])cn2)O1
InChIInChI=1S/C10H12N2O4/c1-10(2)15-6-9(16-10)8-4-3-7(5-11-8)12(13)14/h3-5,9H,6H2,1-2H3
InChIKeyAVSZFZUKLWAMSD-UHFFFAOYSA-N
XLogP1.81
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-cyclopentyl-5-nitropyridine
CID 58049556
2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol
CID 168998357
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-nitrobenzoic acid
CID 71339650
1-[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]-3,3-dimethylbutan-2-one
CID 58174291
5-nitro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55274091
[(1R,2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(4-nitrobenzoyl)oxyethyl] 4-nitrobenzoate
CID 98528602
[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid
CID 175806150
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-(4-nitrophenyl)triazole
CID 134146012
ethane;2-methyl-5-nitropyridine
CID 123657002
N-(2-methylcyclopropyl)-5-nitropyridin-2-amine
CID 62397740
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591
[(4aS,7R,7aR)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-yl] 4-nitrobenzenesulfonate
CID 132574848

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine (CID 71238219) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine is CC1(C)OCC(c2ccc([N+](=O)[O-])cn2)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine?
The InChIKey is AVSZFZUKLWAMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-10(2)15-6-9(16-10)8-4-3-7(5-11-8)12(13)14/h3-5,9H,6H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine has a molecular weight of 224.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine is sourced from PubChem (CID 71238219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).