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

C14H8Cl2F3NO2 — CID 19068738

IUPACmethyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate
SMILESCOC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c1-22-13(21)9-4-7(2-3-10(9)15)12-11(16)5-8(6-20-12)14(17,18)19/h2-6H,1H3
InChIKeyXEVFXAJPUKIFMS-UHFFFAOYSA-N
MW350.12 g/mol
LogP4.86
Rot. Bonds2

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

methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate (PubChem CID 19068738) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate
PubChem CID19068738
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC Namemethyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate
SMILESCOC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c1-22-13(21)9-4-7(2-3-10(9)15)12-11(16)5-8(6-20-12)14(17,18)19/h2-6H,1H3
InChIKeyXEVFXAJPUKIFMS-UHFFFAOYSA-N
XLogP4.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.12
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate?
The IUPAC name of methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate (CID 19068738) is methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate?
The canonical SMILES for methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate is COC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate?
The InChIKey is XEVFXAJPUKIFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c1-22-13(21)9-4-7(2-3-10(9)15)12-11(16)5-8(6-20-12)14(17,18)19/h2-6H,1H3.
What are the key properties of methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate?
methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate has a molecular weight of 350.12 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoate is sourced from PubChem (CID 19068738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).