4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride

C8H2ClF5N2O4 — CID 118818087

IUPAC4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc([N+](=O)[O-])cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H2ClF5N2O4/c9-6(17)4-5(20-8(12,13)14)2(7(10)11)1-3(15-4)16(18)19/h1,7H
InChIKeySPRFNTKNVKKIID-UHFFFAOYSA-N
MW320.56 g/mol
LogP3.20
Rot. Bonds4

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

4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 118818087) has the molecular formula C8H2ClF5N2O4 and a molecular weight of 320.56 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID118818087
Molecular FormulaC8H2ClF5N2O4
Molecular Weight320.56 g/mol
Exact Mass319.96
IUPAC Name4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc([N+](=O)[O-])cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H2ClF5N2O4/c9-6(17)4-5(20-8(12,13)14)2(7(10)11)1-3(15-4)16(18)19/h1,7H
InChIKeySPRFNTKNVKKIID-UHFFFAOYSA-N
XLogP3.20
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.56
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669754
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479
6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134660245
6-(difluoromethyl)-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134670707
methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
CID 133103216
4-(difluoromethyl)-3-methyl-6-nitropyridine-2-carboxylic acid
CID 130088350
5-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 118801627
5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677795
4-(difluoromethyl)-2-fluoro-3-methoxy-6-nitropyridine
CID 118813047
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 118818087) is 4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is O=C(Cl)c1nc([N+](=O)[O-])cc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is SPRFNTKNVKKIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF5N2O4/c9-6(17)4-5(20-8(12,13)14)2(7(10)11)1-3(15-4)16(18)19/h1,7H.
What are the key properties of 4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride has a molecular weight of 320.56 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 118818087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).