ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate

C9H11F2N3O2 — CID 134684313

IUPACethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)cc(N)nc1C(F)F
InChIInChI=1S/C9H11F2N3O2/c1-2-16-9(15)6-4(12)3-5(13)14-7(6)8(10)11/h3,8H,2H2,1H3,(H4,12,13,14)
InChIKeyKUZTZBFCOZULHJ-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.36
Rot. Bonds3

About ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate

ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate (PubChem CID 134684313) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
PubChem CID134684313
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC Nameethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)cc(N)nc1C(F)F
InChIInChI=1S/C9H11F2N3O2/c1-2-16-9(15)6-4(12)3-5(13)14-7(6)8(10)11/h3,8H,2H2,1H3,(H4,12,13,14)
InChIKeyKUZTZBFCOZULHJ-UHFFFAOYSA-N
XLogP1.36
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4,6-diamino-2-(difluoromethyl)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

ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134683777
ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate
CID 133104874
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134662492
ethyl 2-(difluoromethyl)-4-fluoro-6-iodopyridine-3-carboxylate
CID 133105663
methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134671535
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134675839
ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134673659
ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668484
ethyl 6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683031
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate (CID 134684313) is ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(N)cc(N)nc1C(F)F.
What is the InChIKey of ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate?
The InChIKey is KUZTZBFCOZULHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c1-2-16-9(15)6-4(12)3-5(13)14-7(6)8(10)11/h3,8H,2H2,1H3,(H4,12,13,14).
What are the key properties of ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate?
ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate has a molecular weight of 231.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134684313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).