methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate

C10H12F2N2O2 — CID 133098701

IUPACmethyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(CN)nc1C(F)F
InChIInChI=1S/C10H12F2N2O2/c1-5-3-6(10(15)16-2)8(9(11)12)14-7(5)4-13/h3,9H,4,13H2,1-2H3
InChIKeyGONBIQKXHPBKOB-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.57
Rot. Bonds3

About methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate

methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate (PubChem CID 133098701) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate
PubChem CID133098701
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Namemethyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(CN)nc1C(F)F
InChIInChI=1S/C10H12F2N2O2/c1-5-3-6(10(15)16-2)8(9(11)12)14-7(5)4-13/h3,9H,4,13H2,1-2H3
InChIKeyGONBIQKXHPBKOB-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-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 6-(bromomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130084949
methyl 6-(chloromethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 130082356
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133098700
methyl 6-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130075354
methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683021
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130104947
methyl 5-(aminomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100242
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
methyl 2-(aminomethyl)-6-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134685150
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 118820061

Frequently Asked Questions

What is the IUPAC name of methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate (CID 133098701) is methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate is COC(=O)c1cc(C)c(CN)nc1C(F)F.
What is the InChIKey of methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate?
The InChIKey is GONBIQKXHPBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-5-3-6(10(15)16-2)8(9(11)12)14-7(5)4-13/h3,9H,4,13H2,1-2H3.
What are the key properties of methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate?
methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate has a molecular weight of 230.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 133098701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).