ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate

C11H14F2N2O2 — CID 133098489

IUPACethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(C(F)F)c1CN
InChIInChI=1S/C11H14F2N2O2/c1-3-17-11(16)7-4-6(2)15-9(10(12)13)8(7)5-14/h4,10H,3,5,14H2,1-2H3
InChIKeyCHVVDLZOSNUAMM-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.96
Rot. Bonds4

About ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate

ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate (PubChem CID 133098489) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate
PubChem CID133098489
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nameethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(C(F)F)c1CN
InChIInChI=1S/C11H14F2N2O2/c1-3-17-11(16)7-4-6(2)15-9(10(12)13)8(7)5-14/h4,10H,3,5,14H2,1-2H3
InChIKeyCHVVDLZOSNUAMM-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 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate
CID 133085086
ethyl 2-(difluoromethyl)-6-methyl-3-nitropyridine-4-carboxylate
CID 133099188
ethyl 2-(aminomethyl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 138991320
ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
ethyl 6-(bromomethyl)-2-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 133104718
ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
CID 133101161
ethyl 2-(aminomethyl)-3-cyano-5-(difluoromethyl)benzoate
CID 134650214
ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate
CID 133106006
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348
ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 133098479
ethyl 5-(aminomethyl)-3-cyano-6-(difluoromethyl)pyridine-2-carboxylate
CID 134686538
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate (CID 133098489) is ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate is CCOC(=O)c1cc(C)nc(C(F)F)c1CN.
What is the InChIKey of ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate?
The InChIKey is CHVVDLZOSNUAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-3-17-11(16)7-4-6(2)15-9(10(12)13)8(7)5-14/h4,10H,3,5,14H2,1-2H3.
What are the key properties of ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate?
ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-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 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 133098489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).