5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride

C8HClF6N2O4 — CID 134670731

IUPAC5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C8HClF6N2O4/c9-5(18)3-1-2(7(10,11)12)4(17(19)20)6(16-3)21-8(13,14)15/h1H
InChIKeyVIIODFNRZGSNIW-UHFFFAOYSA-N
MW338.55 g/mol
LogP3.29
Rot. Bonds3

About 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride

5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride (PubChem CID 134670731) has the molecular formula C8HClF6N2O4 and a molecular weight of 338.55 g/mol. Its IUPAC name is 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
PubChem CID134670731
Molecular FormulaC8HClF6N2O4
Molecular Weight338.55 g/mol
Exact Mass337.95
IUPAC Name5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)(F)F)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C8HClF6N2O4/c9-5(18)3-1-2(7(10,11)12)4(17(19)20)6(16-3)21-8(13,14)15/h1H
InChIKeyVIIODFNRZGSNIW-UHFFFAOYSA-N
XLogP3.29
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.55
LogP ≤ 53.29
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

5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008
4-nitro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 134671327
4-(difluoromethyl)-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805923
ethyl 4-methyl-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669478
ethyl 4-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666796
5-fluoro-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680784
3-nitro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-sulfonyl chloride
CID 134672531
2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118804931
2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 131870239
4-nitro-3-(trifluoromethyl)naphthalen-1-ol
CID 162194943
5-methyl-2-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118812911
5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679365

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride?
The IUPAC name of 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride (CID 134670731) is 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride is O=C(Cl)c1cc(C(F)(F)F)c([N+](=O)[O-])c(OC(F)(F)F)n1.
What is the InChIKey of 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride?
The InChIKey is VIIODFNRZGSNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HClF6N2O4/c9-5(18)3-1-2(7(10,11)12)4(17(19)20)6(16-3)21-8(13,14)15/h1H.
What are the key properties of 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride?
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride has a molecular weight of 338.55 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 134670731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).