ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate

C11H14F2N2O2 — CID 133098516

IUPACethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(CN)ncc(C)c1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-3-17-11(16)9-7(4-14)15-5-6(2)8(9)10(12)13/h5,10H,3-4,14H2,1-2H3
InChIKeyXIATYUHOZXVTBK-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.96
Rot. Bonds4

About ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate

ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate (PubChem CID 133098516) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
PubChem CID133098516
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nameethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(CN)ncc(C)c1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-3-17-11(16)9-7(4-14)15-5-6(2)8(9)10(12)13/h5,10H,3-4,14H2,1-2H3
InChIKeyXIATYUHOZXVTBK-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

ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133104158
ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
CID 133101258
ethyl 6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671019
ethyl 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675420
ethyl 6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671858
ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 133084245
ethyl 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100784
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
CID 133105223
ethyl 4-(difluoromethyl)-2,5-difluoropyridine-3-carboxylate
CID 134661746
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
CID 134685203

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate (CID 133098516) is ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate is CCOC(=O)c1c(CN)ncc(C)c1C(F)F.
What is the InChIKey of ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate?
The InChIKey is XIATYUHOZXVTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-3-17-11(16)9-7(4-14)15-5-6(2)8(9)10(12)13/h5,10H,3-4,14H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate?
ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-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 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 133098516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).