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

C11H14F2N2O2 — CID 134669121

IUPACethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccc(CN)nc1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-2-17-9(16)5-7-3-4-8(6-14)15-10(7)11(12)13/h3-4,11H,2,5-6,14H2,1H3
InChIKeySWPLVNBBFSTDLG-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.58
Rot. Bonds5

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

ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134669121) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134669121
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Nameethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccc(CN)nc1C(F)F
InChIInChI=1S/C11H14F2N2O2/c1-2-17-9(16)5-7-3-4-8(6-14)15-10(7)11(12)13/h3-4,11H,2,5-6,14H2,1H3
InChIKeySWPLVNBBFSTDLG-UHFFFAOYSA-N
XLogP1.58
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[6-amino-5-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134664484
ethyl 2-[2-amino-5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134683900
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 133100722
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085326
ethyl 2-[2-(difluoromethyl)-3,6-diiodo-4-pyridinyl]acetate
CID 134661762
ethyl 2-[2-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102537
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672936
ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
CID 133101161
ethyl 2-[3-bromo-6-(bromomethyl)-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134684386
ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134658560
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 133104334

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate (CID 134669121) is ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1ccc(CN)nc1C(F)F.
What is the InChIKey of ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is SWPLVNBBFSTDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-17-9(16)5-7-3-4-8(6-14)15-10(7)11(12)13/h3-4,11H,2,5-6,14H2,1H3.
What are the key properties of ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 244.24 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134669121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).