6-(trifluoromethyl)pyridine-2-carbonyl fluoride

C7H3F4NO — CID 174756442

IUPAC6-(trifluoromethyl)pyridine-2-carbonyl fluoride
SMILESO=C(F)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H3F4NO/c8-6(13)4-2-1-3-5(12-4)7(9,10)11/h1-3H
InChIKeyHKGQKENLSWTYOD-UHFFFAOYSA-N
MW193.10 g/mol
LogP2.21
Rot. Bonds1

About 6-(trifluoromethyl)pyridine-2-carbonyl fluoride

6-(trifluoromethyl)pyridine-2-carbonyl fluoride (PubChem CID 174756442) has the molecular formula C7H3F4NO and a molecular weight of 193.10 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyridine-2-carbonyl fluoride.

Molecular Properties

Compound Name6-(trifluoromethyl)pyridine-2-carbonyl fluoride
PubChem CID174756442
Molecular FormulaC7H3F4NO
Molecular Weight193.10 g/mol
Exact Mass193.02
IUPAC Name6-(trifluoromethyl)pyridine-2-carbonyl fluoride
SMILESO=C(F)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C7H3F4NO/c8-6(13)4-2-1-3-5(12-4)7(9,10)11/h1-3H
InChIKeyHKGQKENLSWTYOD-UHFFFAOYSA-N
XLogP2.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 67968360
CID 144561645
CID 144561645
(2,5-dioxopyrrolidin-1-yl) 6-(trifluoromethyl)pyridine-2-carboxylate
CID 154824711
(3,5-dichlorophenyl) 6-(trifluoromethyl)pyridine-2-carboxylate
CID 2746361
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
1-[6-(trifluoromethyl)-2-pyridinyl]ethyl acetate
CID 174625621
(5,6-dichloro-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155369
(5-iodo-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155287
(4,7-dimethoxy-1H-indol-3-yl)-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 178155365
N-[1-(2-chlorophenyl)ethyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 171677155
N-(6-cyano-3-pyridinyl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167983417
methyl 6-(1,1,2,2,2-pentafluoroethyl)pyridine-2-carboxylate
CID 99728623

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyridine-2-carbonyl fluoride?
The IUPAC name of 6-(trifluoromethyl)pyridine-2-carbonyl fluoride (CID 174756442) is 6-(trifluoromethyl)pyridine-2-carbonyl fluoride.
What is the SMILES notation for 6-(trifluoromethyl)pyridine-2-carbonyl fluoride?
The canonical SMILES for 6-(trifluoromethyl)pyridine-2-carbonyl fluoride is O=C(F)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 6-(trifluoromethyl)pyridine-2-carbonyl fluoride?
The InChIKey is HKGQKENLSWTYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO/c8-6(13)4-2-1-3-5(12-4)7(9,10)11/h1-3H.
What are the key properties of 6-(trifluoromethyl)pyridine-2-carbonyl fluoride?
6-(trifluoromethyl)pyridine-2-carbonyl fluoride has a molecular weight of 193.10 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyridine-2-carbonyl fluoride is sourced from PubChem (CID 174756442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).