ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate

C11H11F2N3O2 — CID 134686538

IUPACethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)c(CN)cc1C#N
InChIInChI=1S/C11H11F2N3O2/c1-2-18-11(17)9-7(5-15)3-6(4-14)8(16-9)10(12)13/h3,10H,2,4,14H2,1H3
InChIKeyMTZRUBRJFHKZMZ-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.53
Rot. Bonds4

About ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate

ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate (PubChem CID 134686538) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
PubChem CID134686538
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Nameethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(C(F)F)c(CN)cc1C#N
InChIInChI=1S/C11H11F2N3O2/c1-2-18-11(17)9-7(5-15)3-6(4-14)8(16-9)10(12)13/h3,10H,2,4,14H2,1H3
InChIKeyMTZRUBRJFHKZMZ-UHFFFAOYSA-N
XLogP1.53
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-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 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 86618293
ethyl 2-[5-cyano-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133091237
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
ethyl 2-(aminomethyl)-3-cyano-5-(difluoromethyl)benzoate
CID 134650214
ethyl 4-(aminomethyl)-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134686539
ethyl 6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134685934
ethyl 5-(aminomethyl)-3-cyano-2-(difluoromethyl)benzoate
CID 134650235
ethyl 2-(bromomethyl)-5-cyano-4-(difluoromethyl)benzoate
CID 134650646
ethyl 4-cyano-6-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 133106328
ethyl 2-(aminomethyl)-5-cyano-4-ethylbenzoate
CID 134650246
ethyl 4-cyano-2-(difluoromethyl)-5-ethylbenzoate
CID 134614504
ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134685207

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate (CID 134686538) is ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1nc(C(F)F)c(CN)cc1C#N.
What is the InChIKey of ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
The InChIKey is MTZRUBRJFHKZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-2-18-11(17)9-7(5-15)3-6(4-14)8(16-9)10(12)13/h3,10H,2,4,14H2,1H3.
What are the key properties of ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate?
ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate has a molecular weight of 255.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134686538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).