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

C11H14F2N2O2 — CID 133098479

IUPACethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(CN)nc1C
InChIInChI=1S/C11H14F2N2O2/c1-3-17-11(16)7-4-8(10(12)13)9(5-14)15-6(7)2/h4,10H,3,5,14H2,1-2H3
InChIKeyCMUUNGMZVNKNHC-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.96
Rot. Bonds4

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

ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate (PubChem CID 133098479) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate
PubChem CID133098479
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nameethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(F)F)c(CN)nc1C
InChIInChI=1S/C11H14F2N2O2/c1-3-17-11(16)7-4-8(10(12)13)9(5-14)15-6(7)2/h4,10H,3,5,14H2,1-2H3
InChIKeyCMUUNGMZVNKNHC-UHFFFAOYSA-N
XLogP1.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(aminomethyl)-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 133098700
ethyl 5-(difluoromethyl)-2,6-difluoropyridine-3-carboxylate
CID 134677162
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
ethyl 6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134674225
[6-(aminomethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 118847964
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
ethyl 6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104710
ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133085466
ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
CID 112561934
ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133104158

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate (CID 133098479) is ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate is CCOC(=O)c1cc(C(F)F)c(CN)nc1C.
What is the InChIKey of ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate?
The InChIKey is CMUUNGMZVNKNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-3-17-11(16)7-4-8(10(12)13)9(5-14)15-6(7)2/h4,10H,3,5,14H2,1-2H3.
What are the key properties of ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate?
ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate has a molecular weight of 244.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133098479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).