ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate

C10H12F2N2O3 — CID 133102477

IUPACethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CN)c(O)cc1C(F)F
InChIInChI=1S/C10H12F2N2O3/c1-2-17-10(16)8-5(9(11)12)3-7(15)6(4-13)14-8/h3,9,15H,2,4,13H2,1H3
InChIKeyDTJUXHKJLPNZCX-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.36
Rot. Bonds4

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

ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate (PubChem CID 133102477) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
PubChem CID133102477
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Nameethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
SMILESCCOC(=O)c1nc(CN)c(O)cc1C(F)F
InChIInChI=1S/C10H12F2N2O3/c1-2-17-10(16)8-5(9(11)12)3-7(15)6(4-13)14-8/h3,9,15H,2,4,13H2,1H3
InChIKeyDTJUXHKJLPNZCX-UHFFFAOYSA-N
XLogP1.36
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-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

3-Methyl-5-(2,2,2-trifluoroethoxy)picolinic acid
CID 86728163
Ethyl 6-(aminomethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 122605021
Methyl 5-hydroxy-3-(trifluoromethyl)picolinate
CID 129958478
Ethyl 5-hydroxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133096829
Methyl 3-(1,1-difluoroethyl)-5-hydroxypyridine-2-carboxylate
CID 138585058
Methyl 6-(4-fluorophenyl)-5-hydroxypyridine-2-carboxylate
CID 168162041
methyl 3-chloro-5-hydroxy-6-[(2E,4Z)-6,6,6-trifluoro-5-(methylideneamino)hexa-2,4-dien-2-yl]pyridine-2-carboxylate
CID 169609186
5-(2,2-Difluoroethoxy)-6-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 169977791
Methyl 5-(difluoromethoxy)-3,6-dimethylpyridine-2-carboxylate
CID 172362407
5-(Difluoromethoxy)-3,6-dimethylpyridine-2-carboxylic acid
CID 172362529
3-Methyl-5-(2,2,3,3,3-pentafluoropropoxy)pyridine-2-carboxylic acid
CID 172784568
Methyl 4-fluoro-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]benzoate
CID 79156562

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The IUPAC name of ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate (CID 133102477) is ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate is CCOC(=O)c1nc(CN)c(O)cc1C(F)F.
What is the InChIKey of ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
The InChIKey is DTJUXHKJLPNZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-2-17-10(16)8-5(9(11)12)3-7(15)6(4-13)14-8/h3,9,15H,2,4,13H2,1H3.
What are the key properties of ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate?
ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate has a molecular weight of 246.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)-3-(difluoromethyl)-5-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 133102477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).