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

C8H5F5N2O4 — CID 118829479

IUPAC4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
SMILESCOc1c(C(F)F)cc([N+](=O)[O-])nc1OC(F)(F)F
InChIInChI=1S/C8H5F5N2O4/c1-18-5-3(6(9)10)2-4(15(16)17)14-7(5)19-8(11,12)13/h2,6H,1H3
InChIKeyPSRICMFNQYZSOC-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.83
Rot. Bonds4

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

4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine (PubChem CID 118829479) has the molecular formula C8H5F5N2O4 and a molecular weight of 288.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
PubChem CID118829479
Molecular FormulaC8H5F5N2O4
Molecular Weight288.13 g/mol
Exact Mass288.02
IUPAC Name4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
SMILESCOc1c(C(F)F)cc([N+](=O)[O-])nc1OC(F)(F)F
InChIInChI=1S/C8H5F5N2O4/c1-18-5-3(6(9)10)2-4(15(16)17)14-7(5)19-8(11,12)13/h2,6H,1H3
InChIKeyPSRICMFNQYZSOC-UHFFFAOYSA-N
XLogP2.83
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.83
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

4-(difluoromethyl)-2-fluoro-3-methoxy-6-nitropyridine
CID 118813047
3-bromo-4-(difluoromethyl)-2-methoxy-6-nitropyridine
CID 130068676
4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde
CID 118817249
4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118818087
[4-(difluoromethyl)-5-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134668794
3-(fluoromethyl)-4-methyl-6-nitro-2-(trifluoromethoxy)pyridine
CID 134680023
4-methyl-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 130111828
5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 134669706
4-methoxy-2-methyl-6-nitro-3-(trifluoromethoxy)pyridine
CID 134668132
[5-(difluoromethyl)-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678877
4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine
CID 130105846
6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine
CID 134678577

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine (CID 118829479) is 4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine is COc1c(C(F)F)cc([N+](=O)[O-])nc1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine?
The InChIKey is PSRICMFNQYZSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O4/c1-18-5-3(6(9)10)2-4(15(16)17)14-7(5)19-8(11,12)13/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine?
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine has a molecular weight of 288.13 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118829479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).