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

C11H14F2N2O3 — CID 133085086

IUPACethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(OC)nc(C(F)F)c1CN
InChIInChI=1S/C11H14F2N2O3/c1-3-18-11(16)6-4-8(17-2)15-9(10(12)13)7(6)5-14/h4,10H,3,5,14H2,1-2H3
InChIKeyYGVKLYMWBKPPAZ-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.66
Rot. Bonds5

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

ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate (PubChem CID 133085086) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate
PubChem CID133085086
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nameethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate
SMILESCCOC(=O)c1cc(OC)nc(C(F)F)c1CN
InChIInChI=1S/C11H14F2N2O3/c1-3-18-11(16)6-4-8(17-2)15-9(10(12)13)7(6)5-14/h4,10H,3,5,14H2,1-2H3
InChIKeyYGVKLYMWBKPPAZ-UHFFFAOYSA-N
XLogP1.66
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methylpyridine-4-carboxylate
CID 133098489
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134675839
ethyl 3-(difluoromethyl)-2-iodo-6-methoxypyridine-4-carboxylate
CID 133101862
2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid
CID 118815170
2-(difluoromethyl)-3-iodo-6-methoxypyridine-4-carboxamide
CID 118837244
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid
CID 118809146
ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxamide
CID 118803355
methyl 2-(difluoromethyl)-3-hydroxy-6-methoxypyridine-4-carboxylate
CID 133103210

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate?
The IUPAC name of ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate (CID 133085086) is ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate is CCOC(=O)c1cc(OC)nc(C(F)F)c1CN.
What is the InChIKey of ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate?
The InChIKey is YGVKLYMWBKPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-3-18-11(16)6-4-8(17-2)15-9(10(12)13)7(6)5-14/h4,10H,3,5,14H2,1-2H3.
What are the key properties of ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate?
ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate has a molecular weight of 260.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate is sourced from PubChem (CID 133085086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).