methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate

C15H10Cl2F3NO2 — CID 142574271

IUPACmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)c(C)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2/c1-7-5-11(17)13(14(22)23-2)21-12(7)9-4-3-8(6-10(9)16)15(18,19)20/h3-6H,1-2H3
InChIKeyRPNVDQLWMAXDHS-UHFFFAOYSA-N
MW364.15 g/mol
LogP5.17
Rot. Bonds2

About methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate

methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate (PubChem CID 142574271) has the molecular formula C15H10Cl2F3NO2 and a molecular weight of 364.15 g/mol. Its IUPAC name is methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate
PubChem CID142574271
Molecular FormulaC15H10Cl2F3NO2
Molecular Weight364.15 g/mol
Exact Mass363.00
IUPAC Namemethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)c(C)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2/c1-7-5-11(17)13(14(22)23-2)21-12(7)9-4-3-8(6-10(9)16)15(18,19)20/h3-6H,1-2H3
InChIKeyRPNVDQLWMAXDHS-UHFFFAOYSA-N
XLogP5.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.15
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate
CID 142574536
methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574461
methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
CID 135240587
methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574160
methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574195
methyl 6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazine-3-carboxylate
CID 178140786
methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 142574412
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574254
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
CID 15274283
methyl 6-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 133089907
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 166584197

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate (CID 142574271) is methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)c(C)cc1Cl.
What is the InChIKey of methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate?
The InChIKey is RPNVDQLWMAXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO2/c1-7-5-11(17)13(14(22)23-2)21-12(7)9-4-3-8(6-10(9)16)15(18,19)20/h3-6H,1-2H3.
What are the key properties of methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate?
methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate has a molecular weight of 364.15 g/mol, XLogP of 5.17, 2 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-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 142574271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).