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

C8H5F5N2O3 — CID 133099445

IUPAC3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
SMILESCOc1ncc([N+](=O)[O-])c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F5N2O3/c1-18-7-4(6(9)10)5(8(11,12)13)3(2-14-7)15(16)17/h2,6H,1H3
InChIKeyIQNACXNQPQHFRP-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.95
Rot. Bonds3

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

3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine (PubChem CID 133099445) has the molecular formula C8H5F5N2O3 and a molecular weight of 272.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
PubChem CID133099445
Molecular FormulaC8H5F5N2O3
Molecular Weight272.13 g/mol
Exact Mass272.02
IUPAC Name3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
SMILESCOc1ncc([N+](=O)[O-])c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5F5N2O3/c1-18-7-4(6(9)10)5(8(11,12)13)3(2-14-7)15(16)17/h2,6H,1H3
InChIKeyIQNACXNQPQHFRP-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-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
CID 134686343
6-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethyl)pyridine
CID 133099375
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
CID 130105870
2-[4-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetonitrile
CID 118823886
2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
CID 134668880
ethyl 5-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133098576
3,4-difluoro-2-methoxy-5-nitropyridine
CID 174616976
4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridin-3-amine
CID 130106020
4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
CID 118806375
4-chloro-2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 134661128
2-[4-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118835156
5-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carbonitrile
CID 134674457

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine (CID 133099445) is 3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine is COc1ncc([N+](=O)[O-])c(C(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine?
The InChIKey is IQNACXNQPQHFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5N2O3/c1-18-7-4(6(9)10)5(8(11,12)13)3(2-14-7)15(16)17/h2,6H,1H3.
What are the key properties of 3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine?
3-(difluoromethyl)-2-methoxy-5-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 3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 133099445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).