2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride

C15H11ClF3NO3 — CID 144784380

IUPAC2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride
SMILESCc1ncccc1OCc1c(OC(F)(F)F)cccc1C(=O)Cl
InChIInChI=1S/C15H11ClF3NO3/c1-9-12(6-3-7-20-9)22-8-11-10(14(16)21)4-2-5-13(11)23-15(17,18)19/h2-7H,8H2,1H3
InChIKeyPHHLKNHVIVQVPJ-UHFFFAOYSA-N
MW345.70 g/mol
LogP4.25
Rot. Bonds5

About 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride

2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride (PubChem CID 144784380) has the molecular formula C15H11ClF3NO3 and a molecular weight of 345.70 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride.

Molecular Properties

Compound Name2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride
PubChem CID144784380
Molecular FormulaC15H11ClF3NO3
Molecular Weight345.70 g/mol
Exact Mass345.04
IUPAC Name2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride
SMILESCc1ncccc1OCc1c(OC(F)(F)F)cccc1C(=O)Cl
InChIInChI=1S/C15H11ClF3NO3/c1-9-12(6-3-7-20-9)22-8-11-10(14(16)21)4-2-5-13(11)23-15(17,18)19/h2-7H,8H2,1H3
InChIKeyPHHLKNHVIVQVPJ-UHFFFAOYSA-N
XLogP4.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 54.25
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

3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 144784504
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144783854
1-amino-3-[2-[(4-methylpyrimidin-5-yl)oxymethyl]-3-(trifluoromethoxy)phenyl]urea
CID 144784267
3-methyl-3-[(2-methyl-3-pyridinyl)oxy]butan-2-one
CID 143714736
propyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-(trifluoromethoxy)benzoate
CID 161300654
2-ethoxy-3-(trifluoromethoxy)benzoate
CID 170681949
3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride
CID 121367485
3-cyclopropyl-2-[[4-methyl-2-(trifluoromethyl)phenoxy]methyl]benzoyl chloride
CID 121367503
3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 130088891
3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 130088894

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride?
The IUPAC name of 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride (CID 144784380) is 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride.
What is the SMILES notation for 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride?
The canonical SMILES for 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride is Cc1ncccc1OCc1c(OC(F)(F)F)cccc1C(=O)Cl.
What is the InChIKey of 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride?
The InChIKey is PHHLKNHVIVQVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3/c1-9-12(6-3-7-20-9)22-8-11-10(14(16)21)4-2-5-13(11)23-15(17,18)19/h2-7H,8H2,1H3.
What are the key properties of 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride?
2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride has a molecular weight of 345.70 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride is sourced from PubChem (CID 144784380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).