2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine

C9H10F2N2O3 — CID 167456886

IUPAC2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(C(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H10F2N2O3/c1-5(2)16-8-3-6(9(10)11)12-4-7(8)13(14)15/h3-5,9H,1-2H3
InChIKeyVUQXMWOPCVTPBF-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.71
Rot. Bonds4

About 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine

2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine (PubChem CID 167456886) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine
PubChem CID167456886
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(C(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H10F2N2O3/c1-5(2)16-8-3-6(9(10)11)12-4-7(8)13(14)15/h3-5,9H,1-2H3
InChIKeyVUQXMWOPCVTPBF-UHFFFAOYSA-N
XLogP2.71
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.71
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-bromo-2-(difluoromethyl)-5-nitropyridine
CID 118811909
4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097922
2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 118848721
methyl 6-(difluoromethyl)-4-nitropyridine-3-carboxylate
CID 134673227
2-[2-(difluoromethyl)-5-nitro-4-pyridinyl]acetonitrile
CID 118803712
4-bromo-1-nitro-2-propan-2-yloxybenzene
CID 22624321
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
CID 175382524
1-nitro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 125116617
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
3-nitro-5-propan-2-yloxypyridin-4-amine
CID 130057896
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine?
The IUPAC name of 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine (CID 167456886) is 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine.
What is the SMILES notation for 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine?
The canonical SMILES for 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine is CC(C)Oc1cc(C(F)F)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine?
The InChIKey is VUQXMWOPCVTPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-5(2)16-8-3-6(9(10)11)12-4-7(8)13(14)15/h3-5,9H,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine?
2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine has a molecular weight of 232.19 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine is sourced from PubChem (CID 167456886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).