ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate

C10H12F2N2O2 — CID 134673817

IUPACethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)F)c(C)c1N
InChIInChI=1S/C10H12F2N2O2/c1-3-16-10(15)8-7(13)5(2)6(4-14-8)9(11)12/h4,9H,3,13H2,1-2H3
InChIKeyRIUHEKBCNUXSMC-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.09
Rot. Bonds3

About ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate

ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate (PubChem CID 134673817) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
PubChem CID134673817
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Nameethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(C(F)F)c(C)c1N
InChIInChI=1S/C10H12F2N2O2/c1-3-16-10(15)8-7(13)5(2)6(4-14-8)9(11)12/h4,9H,3,13H2,1-2H3
InChIKeyRIUHEKBCNUXSMC-UHFFFAOYSA-N
XLogP2.09
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-amino-5-(difluoromethyl)-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

ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
ethyl 3-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 134684919
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133102453
ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134664348
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
ethyl 3-bromo-4-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 134677909
methyl 3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 130104314
ethyl 3-chloro-4-(difluoromethyl)pyridine-2-carboxylate
CID 133088342
ethyl 4-(bromomethyl)-3-cyano-5-(difluoromethyl)pyridine-2-carboxylate
CID 133107850
ethyl 6-amino-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134664601
ethyl 3-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-2-carboxylate
CID 134673743

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate (CID 134673817) is ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate is CCOC(=O)c1ncc(C(F)F)c(C)c1N.
What is the InChIKey of ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate?
The InChIKey is RIUHEKBCNUXSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-3-16-10(15)8-7(13)5(2)6(4-14-8)9(11)12/h4,9H,3,13H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate?
ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate has a molecular weight of 230.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 134673817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).