3-(trifluoromethoxy)pyridine-4-carbonyl chloride

C7H3ClF3NO2 — CID 130088891

IUPAC3-(trifluoromethoxy)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1ccncc1OC(F)(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-6(13)4-1-2-12-3-5(4)14-7(9,10)11/h1-3H
InChIKeyQBBRYDLKSJLNCP-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.36
Rot. Bonds2

About 3-(trifluoromethoxy)pyridine-4-carbonyl chloride

3-(trifluoromethoxy)pyridine-4-carbonyl chloride (PubChem CID 130088891) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 3-(trifluoromethoxy)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-(trifluoromethoxy)pyridine-4-carbonyl chloride
PubChem CID130088891
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name3-(trifluoromethoxy)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1ccncc1OC(F)(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-6(13)4-1-2-12-3-5(4)14-7(9,10)11/h1-3H
InChIKeyQBBRYDLKSJLNCP-UHFFFAOYSA-N
XLogP2.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-(trifluoromethoxy)pyridine-4-carboxamide
CID 130088898
3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
CID 87259286
4-methoxy-5-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118816254
4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001
methanol;methyl 3-(trifluoromethyl)pyridine-4-carboxylate;3-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 158055243
4-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118829617
2-chloro-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 171029091
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
3-(chloromethyl)pyridine-4-carbonyl chloride
CID 142681403
methyl 3-carbonochloridoylpyridine-4-carboxylate;hydrochloride
CID 88617430
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride
CID 134630024

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The IUPAC name of 3-(trifluoromethoxy)pyridine-4-carbonyl chloride (CID 130088891) is 3-(trifluoromethoxy)pyridine-4-carbonyl chloride.
What is the SMILES notation for 3-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The canonical SMILES for 3-(trifluoromethoxy)pyridine-4-carbonyl chloride is O=C(Cl)c1ccncc1OC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The InChIKey is QBBRYDLKSJLNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-6(13)4-1-2-12-3-5(4)14-7(9,10)11/h1-3H.
What are the key properties of 3-(trifluoromethoxy)pyridine-4-carbonyl chloride?
3-(trifluoromethoxy)pyridine-4-carbonyl chloride has a molecular weight of 225.55 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)pyridine-4-carbonyl chloride is sourced from PubChem (CID 130088891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).