methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate

C9H7F5N2O2 — CID 134661869

IUPACmethyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ncc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c1-18-8(17)4-5(9(12,13)14)3(6(10)11)2-16-7(4)15/h2,6H,1H3,(H2,15,16)
InChIKeyUZWHFGCVNDADJW-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.41
Rot. Bonds2

About methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 134661869) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID134661869
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Namemethyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)ncc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C9H7F5N2O2/c1-18-8(17)4-5(9(12,13)14)3(6(10)11)2-16-7(4)15/h2,6H,1H3,(H2,15,16)
InChIKeyUZWHFGCVNDADJW-UHFFFAOYSA-N
XLogP2.41
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-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 5-(difluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine-3-carboxylate
CID 133099981
methyl 2,4-diamino-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683512
methyl 2-amino-5-(difluoromethyl)-4-methylpyridine-3-carboxylate
CID 130106595
methyl 2-amino-5-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 130106593
methyl 4-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134674291
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
methyl 5-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677546
methyl 5-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134664339
methyl 5-cyano-2-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 133106647
methyl 3-amino-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134685825
methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133098888
methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661378

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate (CID 134661869) is methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(N)ncc(C(F)F)c1C(F)(F)F.
What is the InChIKey of methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is UZWHFGCVNDADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c1-18-8(17)4-5(9(12,13)14)3(6(10)11)2-16-7(4)15/h2,6H,1H3,(H2,15,16).
What are the key properties of methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 270.16 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134661869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).