methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate

C14H7Cl2F4NO3 — CID 142574461

IUPACmethyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C14H7Cl2F4NO3/c1-23-13(22)12-9(16)5-10(17)11(21-12)7-3-2-6(4-8(7)15)24-14(18,19)20/h2-5H,1H3
InChIKeyHCJGVZNIYAUCEH-UHFFFAOYSA-N
MW384.11 g/mol
LogP4.88
Rot. Bonds3

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

methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate (PubChem CID 142574461) has the molecular formula C14H7Cl2F4NO3 and a molecular weight of 384.11 g/mol. Its IUPAC name is methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
PubChem CID142574461
Molecular FormulaC14H7Cl2F4NO3
Molecular Weight384.11 g/mol
Exact Mass382.97
IUPAC Namemethyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2Cl)c(F)cc1Cl
InChIInChI=1S/C14H7Cl2F4NO3/c1-23-13(22)12-9(16)5-10(17)11(21-12)7-3-2-6(4-8(7)15)24-14(18,19)20/h2-5H,1H3
InChIKeyHCJGVZNIYAUCEH-UHFFFAOYSA-N
XLogP4.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.11
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-chloro-6-[2-chloro-4-(difluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574195
methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574160
methyl 3-chloro-5-fluoro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 142574412
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 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
4-chloro-5-[2-chloro-4-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 125490699
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574254
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 6-chloro-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)pyridine-2-carboxylate
CID 154645340
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
CID 59432126
methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635686

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate (CID 142574461) is methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2Cl)c(F)cc1Cl.
What is the InChIKey of methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
The InChIKey is HCJGVZNIYAUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F4NO3/c1-23-13(22)12-9(16)5-10(17)11(21-12)7-3-2-6(4-8(7)15)24-14(18,19)20/h2-5H,1H3.
What are the key properties of methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate?
methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate has a molecular weight of 384.11 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 142574461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).