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

C11H14F2N2O2 — CID 133084245

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

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

ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate (PubChem CID 133084245) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
PubChem CID133084245
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nameethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(CN)cnc(C(F)F)c1C
InChIInChI=1S/C11H14F2N2O2/c1-3-17-11(16)8-6(2)9(10(12)13)15-5-7(8)4-14/h5,10H,3-4,14H2,1-2H3
InChIKeyAEIVFXBGTWIFMQ-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 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100784
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322
ethyl 3-bromo-5-(bromomethyl)-2-(difluoromethyl)pyridine-4-carboxylate
CID 134685320
ethyl 3-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133084611
ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
CID 133101504
ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098516
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134673659
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 3-bromo-5-chloro-2-(difluoromethyl)pyridine-4-carboxylate
CID 134668722

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate (CID 133084245) is ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate is CCOC(=O)c1c(CN)cnc(C(F)F)c1C.
What is the InChIKey of ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate?
The InChIKey is AEIVFXBGTWIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-3-17-11(16)8-6(2)9(10(12)13)15-5-7(8)4-14/h5,10H,3-4,14H2,1-2H3.
What are the key properties of ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate?
ethyl 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-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 5-(aminomethyl)-2-(difluoromethyl)-3-methylpyridine-4-carboxylate is sourced from PubChem (CID 133084245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).