methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate

C9H8F3NO3 — CID 133105353

IUPACmethyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)c(OC)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-15-7-4(10)3-13-6(9(14)16-2)5(7)8(11)12/h3,8H,1-2H3
InChIKeyZYQDGQMFQXXESC-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.95
Rot. Bonds3

About methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate

methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate (PubChem CID 133105353) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
PubChem CID133105353
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Namemethyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1ncc(F)c(OC)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-15-7-4(10)3-13-6(9(14)16-2)5(7)8(11)12/h3,8H,1-2H3
InChIKeyZYQDGQMFQXXESC-UHFFFAOYSA-N
XLogP1.95
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(difluoromethyl)-5-fluoro-4-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

3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylic acid
CID 130080806
methyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103562
methyl 5-amino-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671357
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 3-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 130082369
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
methyl 4-(difluoromethyl)-5-fluoro-2-methoxypyridine-3-carboxylate
CID 133105528
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
methyl 3-(difluoromethyl)-4-iodo-5-methylpyridine-2-carboxylate
CID 130086290
methyl 4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carboxylate
CID 133103469
methyl 4-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133103914
methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
CID 133099916

Frequently Asked Questions

What is the IUPAC name of methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate (CID 133105353) is methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate is COC(=O)c1ncc(F)c(OC)c1C(F)F.
What is the InChIKey of methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate?
The InChIKey is ZYQDGQMFQXXESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-15-7-4(10)3-13-6(9(14)16-2)5(7)8(11)12/h3,8H,1-2H3.
What are the key properties of methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate?
methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate has a molecular weight of 235.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(difluoromethyl)-5-fluoro-4-methoxypyridine-2-carboxylate is sourced from PubChem (CID 133105353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).