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

C10H12F2N2O2 — CID 133098700

IUPACmethyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(C)nc1CN
InChIInChI=1S/C10H12F2N2O2/c1-5-6(9(11)12)3-7(10(15)16-2)8(4-13)14-5/h3,9H,4,13H2,1-2H3
InChIKeyIDRWQFNLUWSMEV-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.57
Rot. Bonds3

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

methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate (PubChem CID 133098700) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
PubChem CID133098700
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Namemethyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(C)nc1CN
InChIInChI=1S/C10H12F2N2O2/c1-5-6(9(11)12)3-7(10(15)16-2)8(4-13)14-5/h3,9H,4,13H2,1-2H3
InChIKeyIDRWQFNLUWSMEV-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

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Related Compounds

methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
methyl 2-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130090555
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421
ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 133098479
methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098701
methyl 2-cyano-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133107579
methyl 6-bromo-2-(bromomethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 130070404
methyl 6-(aminomethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 133100734
2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carbaldehyde
CID 118825784
methyl 2-(aminomethyl)-6-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134685150
methyl 3-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090578

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate (CID 133098700) is methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate is COC(=O)c1cc(C(F)F)c(C)nc1CN.
What is the InChIKey of methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The InChIKey is IDRWQFNLUWSMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-5-6(9(11)12)3-7(10(15)16-2)8(4-13)14-5/h3,9H,4,13H2,1-2H3.
What are the key properties of methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate?
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-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 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 133098700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).