4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride

C14H8Cl2F3NO2 — CID 15334422

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(COc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H8Cl2F3NO2/c15-11-5-10(14(17,18)19)6-20-13(11)22-7-8-1-3-9(4-2-8)12(16)21/h1-6H,7H2
InChIKeyDDAWLXSYIPTOEG-UHFFFAOYSA-N
MW350.12 g/mol
LogP4.71
Rot. Bonds4

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride (PubChem CID 15334422) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride
PubChem CID15334422
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride
SMILESO=C(Cl)c1ccc(COc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H8Cl2F3NO2/c15-11-5-10(14(17,18)19)6-20-13(11)22-7-8-1-3-9(4-2-8)12(16)21/h1-6H,7H2
InChIKeyDDAWLXSYIPTOEG-UHFFFAOYSA-N
XLogP4.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 54.71
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

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
2,2,2-trifluoroethyl 5-chloro-6-phenylmethoxypyridine-3-carboxylate
CID 141001819
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
CID 75175960
3-chloro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 167152492
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride
CID 119893779
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-ethylurea
CID 71994502
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride (CID 15334422) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride is O=C(Cl)c1ccc(COc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride?
The InChIKey is DDAWLXSYIPTOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c15-11-5-10(14(17,18)19)6-20-13(11)22-7-8-1-3-9(4-2-8)12(16)21/h1-6H,7H2.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride has a molecular weight of 350.12 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride is sourced from PubChem (CID 15334422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).