4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride

C8H4ClF4NO2 — CID 118827397

IUPAC4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESCc1cc(F)c(OC(F)(F)F)c(C(=O)Cl)n1
InChIInChI=1S/C8H4ClF4NO2/c1-3-2-4(10)6(16-8(11,12)13)5(14-3)7(9)15/h2H,1H3
InChIKeyCMZAFJUFUKWMBQ-UHFFFAOYSA-N
MW257.57 g/mol
LogP2.81
Rot. Bonds2

About 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride

4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 118827397) has the molecular formula C8H4ClF4NO2 and a molecular weight of 257.57 g/mol. Its IUPAC name is 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID118827397
Molecular FormulaC8H4ClF4NO2
Molecular Weight257.57 g/mol
Exact Mass256.99
IUPAC Name4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESCc1cc(F)c(OC(F)(F)F)c(C(=O)Cl)n1
InChIInChI=1S/C8H4ClF4NO2/c1-3-2-4(10)6(16-8(11,12)13)5(14-3)7(9)15/h2H,1H3
InChIKeyCMZAFJUFUKWMBQ-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.57
LogP ≤ 52.81
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

6-methoxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679364
6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134660245
4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118816215
6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669754
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134677733
3,5-difluoro-4-(trifluoromethoxy)benzoic acid
CID 56973642
4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118818087
5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679365
1-[3-chloro-5-fluoro-4-(trifluoromethoxy)phenyl]ethanone
CID 171005890
ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate
CID 171065916
2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
CID 118826412

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 118827397) is 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is Cc1cc(F)c(OC(F)(F)F)c(C(=O)Cl)n1.
What is the InChIKey of 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is CMZAFJUFUKWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF4NO2/c1-3-2-4(10)6(16-8(11,12)13)5(14-3)7(9)15/h2H,1H3.
What are the key properties of 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride has a molecular weight of 257.57 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 118827397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).