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

C10H12F2N2O3 — CID 134684791

IUPACmethyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(N)nc1OC
InChIInChI=1S/C10H12F2N2O3/c1-16-7(15)4-5-3-6(8(11)12)9(13)14-10(5)17-2/h3,8H,4H2,1-2H3,(H2,13,14)
InChIKeyYORUBYHLBMRTOJ-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.33
Rot. Bonds4

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

methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate (PubChem CID 134684791) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
PubChem CID134684791
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Namemethyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(N)nc1OC
InChIInChI=1S/C10H12F2N2O3/c1-16-7(15)4-5-3-6(8(11)12)9(13)14-10(5)17-2/h3,8H,4H2,1-2H3,(H2,13,14)
InChIKeyYORUBYHLBMRTOJ-UHFFFAOYSA-N
XLogP1.33
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133093457
methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate
CID 133100382
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 134683250
methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134661772
methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099114
methyl 2-[5-(difluoromethyl)-2-iodo-6-methyl-3-pyridinyl]acetate
CID 133101939
methyl 2-[6-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134668410
methyl 2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681738
methyl 2-[5-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029223
methyl 2-[4-amino-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134683257
3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine
CID 119023651

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate (CID 134684791) is methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(N)nc1OC.
What is the InChIKey of methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate?
The InChIKey is YORUBYHLBMRTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-16-7(15)4-5-3-6(8(11)12)9(13)14-10(5)17-2/h3,8H,4H2,1-2H3,(H2,13,14).
What are the key properties of methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate?
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate has a molecular weight of 246.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 134684791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).