methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C16H10Cl2F3NO2 — CID 142574576

IUPACmethyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESC=Cc1c(C(F)(F)F)ccc(-c2ccc(Cl)c(C(=O)OC)n2)c1Cl
InChIInChI=1S/C16H10Cl2F3NO2/c1-3-8-10(16(19,20)21)5-4-9(13(8)18)12-7-6-11(17)14(22-12)15(23)24-2/h3-7H,1H2,2H3
InChIKeyRRRBXRGSAJCZAW-UHFFFAOYSA-N
MW376.16 g/mol
LogP5.50
Rot. Bonds3

About methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate

methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 142574576) has the molecular formula C16H10Cl2F3NO2 and a molecular weight of 376.16 g/mol. Its IUPAC name is methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID142574576
Molecular FormulaC16H10Cl2F3NO2
Molecular Weight376.16 g/mol
Exact Mass375.00
IUPAC Namemethyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESC=Cc1c(C(F)(F)F)ccc(-c2ccc(Cl)c(C(=O)OC)n2)c1Cl
InChIInChI=1S/C16H10Cl2F3NO2/c1-3-8-10(16(19,20)21)5-4-9(13(8)18)12-7-6-11(17)14(22-12)15(23)24-2/h3-7H,1H2,2H3
InChIKeyRRRBXRGSAJCZAW-UHFFFAOYSA-N
XLogP5.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.16
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574254
methyl 3-chloro-6-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 142574432
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314
methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate
CID 142574536
methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574160
methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
CID 133090667
3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 142574278
methyl 6-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134635581
methyl 3-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134636767
methyl 6-amino-2-[4-chloro-3-(difluoromethoxy)-2-fluorophenyl]-5-ethenylpyrimidine-4-carboxylate
CID 59432076
methyl 6-propan-2-yl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 166584183

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 142574576) is methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is C=Cc1c(C(F)(F)F)ccc(-c2ccc(Cl)c(C(=O)OC)n2)c1Cl.
What is the InChIKey of methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is RRRBXRGSAJCZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3NO2/c1-3-8-10(16(19,20)21)5-4-9(13(8)18)12-7-6-11(17)14(22-12)15(23)24-2/h3-7H,1H2,2H3.
What are the key properties of methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 376.16 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 142574576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).