ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate

C11H14F2N2O3 — CID 134683370

IUPACethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(OC)nc1N
InChIInChI=1S/C11H14F2N2O3/c1-3-18-8(16)5-6-4-7(9(12)13)11(17-2)15-10(6)14/h4,9H,3,5H2,1-2H3,(H2,14,15)
InChIKeyCRKGXCNNZKEGOV-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.72
Rot. Bonds5

About ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate

ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate (PubChem CID 134683370) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
PubChem CID134683370
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(OC)nc1N
InChIInChI=1S/C11H14F2N2O3/c1-3-18-8(16)5-6-4-7(9(12)13)11(17-2)15-10(6)14/h4,9H,3,5H2,1-2H3,(H2,14,15)
InChIKeyCRKGXCNNZKEGOV-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
CID 133103507
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791
3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine
CID 119023651
ethyl 2-[2-amino-5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134683900
ethyl 2-[6-amino-2-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134684024
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
ethyl 2-[6-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134674085
ethyl 2-[6-amino-5-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134664484
ethyl 2-[5-(difluoromethyl)-2-fluoro-6-iodo-3-pyridinyl]acetate
CID 133105380
ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134683798
ethyl 5-(difluoromethyl)-2-fluoro-6-methoxypyridine-3-carboxylate
CID 133105613
ethyl 2-[6-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674485

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate (CID 134683370) is ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)c(OC)nc1N.
What is the InChIKey of ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
The InChIKey is CRKGXCNNZKEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-3-18-8(16)5-6-4-7(9(12)13)11(17-2)15-10(6)14/h4,9H,3,5H2,1-2H3,(H2,14,15).
What are the key properties of ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate has a molecular weight of 260.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 134683370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).