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

C15H11ClF3NO3 — CID 142574536

IUPACmethyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ccc1OC
InChIInChI=1S/C15H11ClF3NO3/c1-22-12-6-5-11(20-13(12)14(21)23-2)9-4-3-8(7-10(9)16)15(17,18)19/h3-7H,1-2H3
InChIKeyQNCBAFIYVPEULJ-UHFFFAOYSA-N
MW345.70 g/mol
LogP4.22
Rot. Bonds3

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

methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate (PubChem CID 142574536) has the molecular formula C15H11ClF3NO3 and a molecular weight of 345.70 g/mol. Its IUPAC name is methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate
PubChem CID142574536
Molecular FormulaC15H11ClF3NO3
Molecular Weight345.70 g/mol
Exact Mass345.04
IUPAC Namemethyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ccc1OC
InChIInChI=1S/C15H11ClF3NO3/c1-22-12-6-5-11(20-13(12)14(21)23-2)9-4-3-8(7-10(9)16)15(17,18)19/h3-7H,1-2H3
InChIKeyQNCBAFIYVPEULJ-UHFFFAOYSA-N
XLogP4.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-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-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate
CID 142574271
pyridin-2-ylmethyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574177
methyl 3-chloro-6-[4-chloro-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 142574432
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574254
methyl 3-chloro-6-[2-chloro-3-ethenyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574576
[2-chloro-4-(trifluoromethyl)phenyl] 3,3-dimethylbutanoate
CID 90868666
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
methyl 6-(2,5-dichlorophenyl)-3-fluoropyridine-2-carboxylate
CID 133090667
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
2-chloro-1-methoxy-4-(trifluoromethyl)benzene;1,3-thiazole-5-carboxylic acid
CID 161466771
methyl 3-chloro-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574160

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate (CID 142574536) is methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2Cl)ccc1OC.
What is the InChIKey of methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate?
The InChIKey is QNCBAFIYVPEULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO3/c1-22-12-6-5-11(20-13(12)14(21)23-2)9-4-3-8(7-10(9)16)15(17,18)19/h3-7H,1-2H3.
What are the key properties of methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate?
methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate has a molecular weight of 345.70 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-3-methoxypyridine-2-carboxylate is sourced from PubChem (CID 142574536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).