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

C8H5F5N2O3 — CID 133099440

IUPAC6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)cc(C(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C8H5F5N2O3/c1-18-5-3(8(11,12)13)2-4(6(9)10)14-7(5)15(16)17/h2,6H,1H3
InChIKeyFZWHQMSFLOLMQJ-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.95
Rot. Bonds3

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

6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine (PubChem CID 133099440) has the molecular formula C8H5F5N2O3 and a molecular weight of 272.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine
PubChem CID133099440
Molecular FormulaC8H5F5N2O3
Molecular Weight272.13 g/mol
Exact Mass272.02
IUPAC Name6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine
SMILESCOc1c(C(F)(F)F)cc(C(F)F)nc1[N+](=O)[O-]
InChIInChI=1S/C8H5F5N2O3/c1-18-5-3(8(11,12)13)2-4(6(9)10)14-7(5)15(16)17/h2,6H,1H3
InChIKeyFZWHQMSFLOLMQJ-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

6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
CID 133099375
6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
CID 133099310
4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine
CID 130105846
6-(difluoromethyl)-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134670707
2-(difluoromethyl)-3-methoxy-4-nitro-6-(trifluoromethyl)pyridine
CID 118842821
2-(difluoromethyl)-4-methoxy-6-nitropyridine
CID 118803609
3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
CID 130099273
3-methoxy-2,6-dinitro-N-propan-2-yl-4-(trifluoromethyl)aniline
CID 154202505
6-(difluoromethyl)-3-methoxy-4-nitropyridine-2-sulfonamide
CID 133087549
3-(difluoromethyl)-2-iodo-6-nitro-5-(trifluoromethyl)pyridine
CID 133101197
methyl 2-[6-(difluoromethyl)-4-fluoro-2-nitro-3-pyridinyl]acetate
CID 133105138
methyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134684128

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine?
The IUPAC name of 6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine (CID 133099440) is 6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine is COc1c(C(F)(F)F)cc(C(F)F)nc1[N+](=O)[O-].
What is the InChIKey of 6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine?
The InChIKey is FZWHQMSFLOLMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O3/c1-18-5-3(8(11,12)13)2-4(6(9)10)14-7(5)15(16)17/h2,6H,1H3.
What are the key properties of 6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine?
6-(difluoromethyl)-3-methoxy-2-nitro-4-(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)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 133099440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).