6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine

C8H5F5N2O3 — CID 133099375

IUPAC6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)F)cc([N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C8H5F5N2O3/c1-18-7-5(8(11,12)13)4(15(16)17)2-3(14-7)6(9)10/h2,6H,1H3
InChIKeyUZPSKRSPGUWSCX-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.95
Rot. Bonds3

About 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine

6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine (PubChem CID 133099375) has the molecular formula C8H5F5N2O3 and a molecular weight of 272.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
PubChem CID133099375
Molecular FormulaC8H5F5N2O3
Molecular Weight272.13 g/mol
Exact Mass272.02
IUPAC Name6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)F)cc([N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C8H5F5N2O3/c1-18-7-5(8(11,12)13)4(15(16)17)2-3(14-7)6(9)10/h2,6H,1H3
InChIKeyUZPSKRSPGUWSCX-UHFFFAOYSA-N
XLogP2.95
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.95
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-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
CID 133099445
2-[6-(difluoromethyl)-2-methoxy-4-nitro-3-pyridinyl]acetic acid
CID 133099793
3-bromo-6-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134663698
6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine
CID 133099440
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134664936
2-(difluoromethyl)-3-methoxy-4-nitro-6-(trifluoromethyl)pyridine
CID 118842821
6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide
CID 133087549
2-[6-(difluoromethyl)-4-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133096242
2-(difluoromethyl)-4-methoxy-6-nitropyridine
CID 118803609
5-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carbonitrile
CID 134674457
2-(difluoromethyl)-6-methoxy-5-nitropyridin-3-ol
CID 118843155

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine?
The IUPAC name of 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine (CID 133099375) is 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine is COc1nc(C(F)F)cc([N+](=O)[O-])c1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine?
The InChIKey is UZPSKRSPGUWSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O3/c1-18-7-5(8(11,12)13)4(15(16)17)2-3(14-7)6(9)10/h2,6H,1H3.
What are the key properties of 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine?
6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine has a molecular weight of 272.13 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 133099375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).