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

C8H5F5N2O4 — CID 134660667

IUPAC3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
SMILESCOc1cc(OC(F)(F)F)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C8H5F5N2O4/c1-18-4-2-3(19-8(11,12)13)5(6(9)10)7(14-4)15(16)17/h2,6H,1H3
InChIKeyRHOROUPUOQQXAL-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.83
Rot. Bonds4

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

3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine (PubChem CID 134660667) has the molecular formula C8H5F5N2O4 and a molecular weight of 288.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
PubChem CID134660667
Molecular FormulaC8H5F5N2O4
Molecular Weight288.13 g/mol
Exact Mass288.02
IUPAC Name3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
SMILESCOc1cc(OC(F)(F)F)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C8H5F5N2O4/c1-18-4-2-3(19-8(11,12)13)5(6(9)10)7(14-4)15(16)17/h2,6H,1H3
InChIKeyRHOROUPUOQQXAL-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

3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
CID 133105790
4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
[6-methoxy-2-nitro-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134682014
3-(difluoromethyl)-6-methoxy-2-nitropyridin-4-amine
CID 118840608
[4-methoxy-2-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134664971
6-methoxy-2-nitro-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660091
4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
2-[6-methoxy-2-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134670329
methyl 5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682718
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
2-[5-(difluoromethyl)-4-methoxy-6-nitro-2-pyridinyl]acetonitrile
CID 133099347

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine (CID 134660667) is 3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine is COc1cc(OC(F)(F)F)c(C(F)F)c([N+](=O)[O-])n1.
What is the InChIKey of 3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine?
The InChIKey is RHOROUPUOQQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O4/c1-18-4-2-3(19-8(11,12)13)5(6(9)10)7(14-4)15(16)17/h2,6H,1H3.
What are the key properties of 3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine?
3-(difluoromethyl)-6-methoxy-2-nitro-4-(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 3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134660667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).