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

C9H7ClF3NO3 — CID 134679365

IUPAC5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESCOc1c(C)cc(C(=O)Cl)nc1OC(F)(F)F
InChIInChI=1S/C9H7ClF3NO3/c1-4-3-5(7(10)15)14-8(6(4)16-2)17-9(11,12)13/h3H,1-2H3
InChIKeyYKMWJSPXYISUAM-UHFFFAOYSA-N
MW269.61 g/mol
LogP2.68
Rot. Bonds3

About 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride

5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 134679365) has the molecular formula C9H7ClF3NO3 and a molecular weight of 269.61 g/mol. Its IUPAC name is 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID134679365
Molecular FormulaC9H7ClF3NO3
Molecular Weight269.61 g/mol
Exact Mass269.01
IUPAC Name5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESCOc1c(C)cc(C(=O)Cl)nc1OC(F)(F)F
InChIInChI=1S/C9H7ClF3NO3/c1-4-3-5(7(10)15)14-8(6(4)16-2)17-9(11,12)13/h3H,1-2H3
InChIKeyYKMWJSPXYISUAM-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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Related Compounds

6-(difluoromethyl)-3-methoxy-4-methyl-2-(trifluoromethoxy)pyridine
CID 134678577
6-methoxy-4-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134679364
6-methoxy-4-methyl-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134670306
ethyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660433
4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118816215
methyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668130
ethyl 2-[3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134681442
3-hydroxy-5-methoxy-6-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134677733
ethyl 3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-4-carboxylate
CID 134681879
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134675816
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 134670731
ethyl 2-[6-(fluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662016

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 134679365) is 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride is COc1c(C)cc(C(=O)Cl)nc1OC(F)(F)F.
What is the InChIKey of 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is YKMWJSPXYISUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO3/c1-4-3-5(7(10)15)14-8(6(4)16-2)17-9(11,12)13/h3H,1-2H3.
What are the key properties of 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride?
5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-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 5-methoxy-4-methyl-6-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 134679365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).