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

C8H5F5N2O4 — CID 134669706

IUPAC5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
SMILESCOc1ncc(C(F)F)c([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C8H5F5N2O4/c1-18-7-5(19-8(11,12)13)4(15(16)17)3(2-14-7)6(9)10/h2,6H,1H3
InChIKeyBVBOSBFZHOTRPZ-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.83
Rot. Bonds4

About 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine

5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine (PubChem CID 134669706) has the molecular formula C8H5F5N2O4 and a molecular weight of 288.13 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
PubChem CID134669706
Molecular FormulaC8H5F5N2O4
Molecular Weight288.13 g/mol
Exact Mass288.02
IUPAC Name5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
SMILESCOc1ncc(C(F)F)c([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C8H5F5N2O4/c1-18-7-5(19-8(11,12)13)4(15(16)17)3(2-14-7)6(9)10/h2,6H,1H3
InChIKeyBVBOSBFZHOTRPZ-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

6-methoxy-5-nitro-4-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 134670379
ethyl 5-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134672833
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
CID 134675551
5-(difluoromethyl)-3-fluoro-2-nitro-4-(trifluoromethoxy)pyridine
CID 134659642
4-iodo-2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine
CID 134678852
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479
2-[5-(difluoromethyl)-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682963
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
CID 130105870
4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118840777
[2-methoxy-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134670161
[2-methoxy-3-nitro-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134682011
[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
CID 133100021

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine?
The IUPAC name of 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine (CID 134669706) is 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine is COc1ncc(C(F)F)c([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine?
The InChIKey is BVBOSBFZHOTRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O4/c1-18-7-5(19-8(11,12)13)4(15(16)17)3(2-14-7)6(9)10/h2,6H,1H3.
What are the key properties of 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine?
5-(difluoromethyl)-2-methoxy-4-nitro-3-(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 5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134669706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).