ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate

C11H14F2N2O3 — CID 134683801

IUPACethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)F)c(OC)c1N
InChIInChI=1S/C11H14F2N2O3/c1-3-18-7(16)4-6-5-15-9(11(12)13)10(17-2)8(6)14/h5,11H,3-4H2,1-2H3,(H2,14,15)
InChIKeySLYCNNPVRSBCRY-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.72
Rot. Bonds5

About ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate

ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate (PubChem CID 134683801) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
PubChem CID134683801
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)F)c(OC)c1N
InChIInChI=1S/C11H14F2N2O3/c1-3-18-7(16)4-6-5-15-9(11(12)13)10(17-2)8(6)14/h5,11H,3-4H2,1-2H3,(H2,14,15)
InChIKeySLYCNNPVRSBCRY-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

Analyze ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134684413
ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134683817
ethyl 2-[2-(difluoromethyl)-4-methoxy-5-methyl-3-pyridinyl]acetate
CID 133099799
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134671707
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-[4-amino-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134670665
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668311
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
CID 118829154
ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134672783
ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669265
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102379

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate (CID 134683801) is ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate is CCOC(=O)Cc1cnc(C(F)F)c(OC)c1N.
What is the InChIKey of ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate?
The InChIKey is SLYCNNPVRSBCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-3-18-7(16)4-6-5-15-9(11(12)13)10(17-2)8(6)14/h5,11H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate?
ethyl 2-[4-amino-6-(difluoromethyl)-5-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-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 134683801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).