methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate

C15H11ClF3NO3 — CID 75175960

IUPACmethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H11ClF3NO3/c1-22-14(21)9-2-4-11(5-3-9)23-8-13-12(16)6-10(7-20-13)15(17,18)19/h2-7H,8H2,1H3
InChIKeyBTBOMKOXJVGBRU-UHFFFAOYSA-N
MW345.70 g/mol
LogP4.12
Rot. Bonds4

About methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate

methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate (PubChem CID 75175960) has the molecular formula C15H11ClF3NO3 and a molecular weight of 345.70 g/mol. Its IUPAC name is methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
PubChem CID75175960
Molecular FormulaC15H11ClF3NO3
Molecular Weight345.70 g/mol
Exact Mass345.04
IUPAC Namemethyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H11ClF3NO3/c1-22-14(21)9-2-4-11(5-3-9)23-8-13-12(16)6-10(7-20-13)15(17,18)19/h2-7H,8H2,1H3
InChIKeyBTBOMKOXJVGBRU-UHFFFAOYSA-N
XLogP4.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-methoxybenzoate
CID 1477319
[1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]phenyl]ethylideneamino]thiourea
CID 2746276
methyl 4-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-hydroxypropoxy]benzoate
CID 42926572
methyl 4-[(3,6-dichloro-2-pyridinyl)methoxy]benzoate
CID 59756933
3-chloro-5-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]pyridine
CID 2780427
[(2R)-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-methoxy-1-oxopropan-2-yl]azanium
CID 7097279
methyl 4-[[5-amino-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]amino]benzoate
CID 19149489
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride
CID 15334422
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-2,5-dimethylbenzamide
CID 24888327
methyl 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate
CID 22485064
1-[4-acetyl-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-7-methylnaphthalen-2-yl]ethanone
CID 166849766

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate?
The IUPAC name of methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate (CID 75175960) is methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate is COC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate?
The InChIKey is BTBOMKOXJVGBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3/c1-22-14(21)9-2-4-11(5-3-9)23-8-13-12(16)6-10(7-20-13)15(17,18)19/h2-7H,8H2,1H3.
What are the key properties of methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate?
methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate has a molecular weight of 345.70 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]benzoate is sourced from PubChem (CID 75175960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).