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

C9H7ClF3NO3 — CID 134670306

IUPAC6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESCOc1cc(C)c(C(=O)Cl)c(OC(F)(F)F)n1
InChIInChI=1S/C9H7ClF3NO3/c1-4-3-5(16-2)14-8(6(4)7(10)15)17-9(11,12)13/h3H,1-2H3
InChIKeySHCXPMKXGNRDLP-UHFFFAOYSA-N
MW269.61 g/mol
LogP2.68
Rot. Bonds3

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

6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride (PubChem CID 134670306) has the molecular formula C9H7ClF3NO3 and a molecular weight of 269.61 g/mol. Its IUPAC name is 6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
PubChem CID134670306
Molecular FormulaC9H7ClF3NO3
Molecular Weight269.61 g/mol
Exact Mass269.01
IUPAC Name6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESCOc1cc(C)c(C(=O)Cl)c(OC(F)(F)F)n1
InChIInChI=1S/C9H7ClF3NO3/c1-4-3-5(16-2)14-8(6(4)7(10)15)17-9(11,12)13/h3H,1-2H3
InChIKeySHCXPMKXGNRDLP-UHFFFAOYSA-N
XLogP2.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The IUPAC name of 6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride (CID 134670306) is 6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The canonical SMILES for 6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride is COc1cc(C)c(C(=O)Cl)c(OC(F)(F)F)n1.
What is the InChIKey of 6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The InChIKey is SHCXPMKXGNRDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO3/c1-4-3-5(16-2)14-8(6(4)7(10)15)17-9(11,12)13/h3H,1-2H3.
What are the key properties of 6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride has a molecular weight of 269.61 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride is sourced from PubChem (CID 134670306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).