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

C15H10ClF4NO2 — CID 142574254

IUPACmethyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)c(C(F)(F)F)cc2F)ccc1Cl
InChIInChI=1S/C15H10ClF4NO2/c1-7-5-8(11(17)6-9(7)15(18,19)20)12-4-3-10(16)13(21-12)14(22)23-2/h3-6H,1-2H3
InChIKeyGMMVMCNUEVCRSG-UHFFFAOYSA-N
MW347.70 g/mol
LogP4.65
Rot. Bonds2

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

methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 142574254) has the molecular formula C15H10ClF4NO2 and a molecular weight of 347.70 g/mol. Its IUPAC name is methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID142574254
Molecular FormulaC15H10ClF4NO2
Molecular Weight347.70 g/mol
Exact Mass347.03
IUPAC Namemethyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)c(C(F)(F)F)cc2F)ccc1Cl
InChIInChI=1S/C15H10ClF4NO2/c1-7-5-8(11(17)6-9(7)15(18,19)20)12-4-3-10(16)13(21-12)14(22)23-2/h3-6H,1-2H3
InChIKeyGMMVMCNUEVCRSG-UHFFFAOYSA-N
XLogP4.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-chloro-6-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 142574432
methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574576
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
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate
CID 142574536
methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate
CID 142574271
3-chloro-6-[3-methoxy-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 142574278
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-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636658
methyl 3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-4-methylpyridine-2-carboxylate
CID 138549772

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 142574254) is methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2cc(C)c(C(F)(F)F)cc2F)ccc1Cl.
What is the InChIKey of methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is GMMVMCNUEVCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF4NO2/c1-7-5-8(11(17)6-9(7)15(18,19)20)12-4-3-10(16)13(21-12)14(22)23-2/h3-6H,1-2H3.
What are the key properties of methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 347.70 g/mol, XLogP of 4.65, 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-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 142574254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).