ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate

C12H16F2N2O3 — CID 133085366

IUPACethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)nc(OC)c1CN
InChIInChI=1S/C12H16F2N2O3/c1-3-19-10(17)5-7-4-9(11(13)14)16-12(18-2)8(7)6-15/h4,11H,3,5-6,15H2,1-2H3
InChIKeyMCXIPPUAEFGNCA-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.59
Rot. Bonds6

About ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate

ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate (PubChem CID 133085366) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
PubChem CID133085366
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Nameethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)nc(OC)c1CN
InChIInChI=1S/C12H16F2N2O3/c1-3-19-10(17)5-7-4-9(11(13)14)16-12(18-2)8(7)6-15/h4,11H,3,5-6,15H2,1-2H3
InChIKeyMCXIPPUAEFGNCA-UHFFFAOYSA-N
XLogP1.59
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664307
ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133101552
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133084760
ethyl 2-[6-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677365
ethyl 2-[2-chloro-6-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134674935
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine
CID 130073717
ethyl 2-[4-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682292
ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
ethyl 2-[2-cyano-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134684145
methyl 2-[4-amino-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134683257
ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676450

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate (CID 133085366) is ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)nc(OC)c1CN.
What is the InChIKey of ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate?
The InChIKey is MCXIPPUAEFGNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-3-19-10(17)5-7-4-9(11(13)14)16-12(18-2)8(7)6-15/h4,11H,3,5-6,15H2,1-2H3.
What are the key properties of ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate?
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate has a molecular weight of 274.27 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetate is sourced from PubChem (CID 133085366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).