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

C11H14F2N2O3 — CID 134683798

IUPACethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)cc(C(F)F)c1OC
InChIInChI=1S/C11H14F2N2O3/c1-3-18-9(16)5-7-10(17-2)6(11(12)13)4-8(14)15-7/h4,11H,3,5H2,1-2H3,(H2,14,15)
InChIKeyFLZCBGVGHWTDIB-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.72
Rot. Bonds5

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

ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate (PubChem CID 134683798) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
PubChem CID134683798
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(N)cc(C(F)F)c1OC
InChIInChI=1S/C11H14F2N2O3/c1-3-18-9(16)5-7-10(17-2)6(11(12)13)4-8(14)15-7/h4,11H,3,5H2,1-2H3,(H2,14,15)
InChIKeyFLZCBGVGHWTDIB-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-[6-chloro-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134669651
ethyl 2-[6-amino-3-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134669264
ethyl 2-[6-amino-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetate
CID 134661846
ethyl 2-[6-amino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134665311
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432
ethyl 2-[5-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102073
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268
ethyl 2-[5-(difluoromethyl)-3-hydroxy-6-methoxy-2-pyridinyl]acetate
CID 133103507
ethyl 2-[4-cyano-6-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 133107798

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate (CID 134683798) is ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate is CCOC(=O)Cc1nc(N)cc(C(F)F)c1OC.
What is the InChIKey of ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate?
The InChIKey is FLZCBGVGHWTDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-3-18-9(16)5-7-10(17-2)6(11(12)13)4-8(14)15-7/h4,11H,3,5H2,1-2H3,(H2,14,15).
What are the key properties of ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate?
ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-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-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate is sourced from PubChem (CID 134683798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).