methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate

C10H8F5NO3 — CID 133099003

IUPACmethyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)c(OC)c(C(F)F)n1
InChIInChI=1S/C10H8F5NO3/c1-18-7-4(10(13,14)15)3-5(9(17)19-2)16-6(7)8(11)12/h3,8H,1-2H3
InChIKeyXQPGSSIKTFUUCJ-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.83
Rot. Bonds3

About methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate

methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 133099003) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID133099003
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Namemethyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(F)(F)F)c(OC)c(C(F)F)n1
InChIInChI=1S/C10H8F5NO3/c1-18-7-4(10(13,14)15)3-5(9(17)19-2)16-6(7)8(11)12/h3,8H,1-2H3
InChIKeyXQPGSSIKTFUUCJ-UHFFFAOYSA-N
XLogP2.83
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-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 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133098888
6-chloro-2-(difluoromethyl)-3-methoxy-4-(trifluoromethyl)pyridine
CID 130073844
methyl 6-(difluoromethyl)-5-iodo-4-methylpyridine-2-carboxylate
CID 130086259
[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 133084888
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
methyl 4-amino-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 130106624
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 134669578
methyl 5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 130108323
methyl 5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 130087279
methyl 5-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682597

Frequently Asked Questions

What is the IUPAC name of methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate (CID 133099003) is methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1cc(C(F)(F)F)c(OC)c(C(F)F)n1.
What is the InChIKey of methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is XQPGSSIKTFUUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c1-18-7-4(10(13,14)15)3-5(9(17)19-2)16-6(7)8(11)12/h3,8H,1-2H3.
What are the key properties of methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate?
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 285.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 133099003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).