ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate

C11H13F2NO3 — CID 133100411

IUPACethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)cc(C)c1OC
InChIInChI=1S/C11H13F2NO3/c1-4-17-11(15)8-9(16-3)6(2)5-7(14-8)10(12)13/h5,10H,4H2,1-3H3
InChIKeyLIOJBQNJGYKDBV-UHFFFAOYSA-N
MW245.22 g/mol
LogP2.51
Rot. Bonds4

About ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate

ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate (PubChem CID 133100411) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
PubChem CID133100411
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)cc(C)c1OC
InChIInChI=1S/C11H13F2NO3/c1-4-17-11(15)8-9(16-3)6(2)5-7(14-8)10(12)13/h5,10H,4H2,1-3H3
InChIKeyLIOJBQNJGYKDBV-UHFFFAOYSA-N
XLogP2.51
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-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

6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
ethyl 6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylate
CID 134670769
ethyl 3,4-dichloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669240
ethyl 6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671675
ethyl 4-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134669270
ethyl 3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103828
ethyl 3-amino-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134673701
ethyl 6-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 133093188
ethyl 4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134685877
methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 161362187
ethyl 3-amino-6-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 134658643
4-amino-6-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 152778193

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate (CID 133100411) is ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate is CCOC(=O)c1nc(C(F)F)cc(C)c1OC.
What is the InChIKey of ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate?
The InChIKey is LIOJBQNJGYKDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-4-17-11(15)8-9(16-3)6(2)5-7(14-8)10(12)13/h5,10H,4H2,1-3H3.
What are the key properties of ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate?
ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate has a molecular weight of 245.22 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 133100411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).