methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C14H8Cl2F3NO2 — CID 57441140

IUPACmethyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)c(Cl)c1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c1-22-13(21)12-11(16)10(15)9(6-20-12)7-3-2-4-8(5-7)14(17,18)19/h2-6H,1H3
InChIKeyVOVYVYKILUWPGO-UHFFFAOYSA-N
MW350.12 g/mol
LogP4.86
Rot. Bonds2

About methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate

methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 57441140) has the molecular formula C14H8Cl2F3NO2 and a molecular weight of 350.12 g/mol. Its IUPAC name is methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID57441140
Molecular FormulaC14H8Cl2F3NO2
Molecular Weight350.12 g/mol
Exact Mass348.99
IUPAC Namemethyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)c(Cl)c1Cl
InChIInChI=1S/C14H8Cl2F3NO2/c1-22-13(21)12-11(16)10(15)9(6-20-12)7-3-2-4-8(5-7)14(17,18)19/h2-6H,1H3
InChIKeyVOVYVYKILUWPGO-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 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 57441140) is methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)c(Cl)c1Cl.
What is the InChIKey of methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is VOVYVYKILUWPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F3NO2/c1-22-13(21)12-11(16)10(15)9(6-20-12)7-3-2-4-8(5-7)14(17,18)19/h2-6H,1H3.
What are the key properties of methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate 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 3,4-dichloro-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 57441140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).