methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate

C14H6ClF6NO2 — CID 142574160

IUPACmethyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C14H6ClF6NO2/c1-24-13(23)12-7(15)4-8(16)11(22-12)5-2-3-6(14(19,20)21)10(18)9(5)17/h2-4H,1H3
InChIKeyWQBLJPHGJHTFKX-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.62
Rot. Bonds2

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

methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 142574160) has the molecular formula C14H6ClF6NO2 and a molecular weight of 369.65 g/mol. Its IUPAC name is methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
PubChem CID142574160
Molecular FormulaC14H6ClF6NO2
Molecular Weight369.65 g/mol
Exact Mass369.00
IUPAC Namemethyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2F)c(F)cc1Cl
InChIInChI=1S/C14H6ClF6NO2/c1-24-13(23)12-7(15)4-8(16)11(22-12)5-2-3-6(14(19,20)21)10(18)9(5)17/h2-4H,1H3
InChIKeyWQBLJPHGJHTFKX-UHFFFAOYSA-N
XLogP4.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574461
methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 142574412
methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574195
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574254
methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate
CID 142574271
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 166584197
methyl 6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-hydroxypyrimidine-4-carboxylate
CID 123520014
methyl 6-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-methoxypyrimidine-4-carboxylate
CID 90440305
methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574576
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate
CID 142574536

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate (CID 142574160) is methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)c(F)c2F)c(F)cc1Cl.
What is the InChIKey of methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is WQBLJPHGJHTFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF6NO2/c1-24-13(23)12-7(15)4-8(16)11(22-12)5-2-3-6(14(19,20)21)10(18)9(5)17/h2-4H,1H3.
What are the key properties of methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate?
methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 369.65 g/mol, XLogP of 4.62, 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-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 142574160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).