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

C10H12F2N2O3 — CID 134683250

IUPACmethyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(N)c(OC)n1
InChIInChI=1S/C10H12F2N2O3/c1-16-7(15)4-5-3-6(9(11)12)8(13)10(14-5)17-2/h3,9H,4,13H2,1-2H3
InChIKeyPUXCVXJVEGYGBE-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.33
Rot. Bonds4

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

methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate (PubChem CID 134683250) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
PubChem CID134683250
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Namemethyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(N)c(OC)n1
InChIInChI=1S/C10H12F2N2O3/c1-16-7(15)4-5-3-6(9(11)12)8(13)10(14-5)17-2/h3,9H,4,13H2,1-2H3
InChIKeyPUXCVXJVEGYGBE-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

methyl 2-[5-amino-6-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134684597
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099823
methyl 2-[6-amino-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134684791
methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328
methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134675916
methyl 2-[5-amino-4-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133088393
methyl 2-[6-bromo-4-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134685061
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119
ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134684588
methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674202
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661443
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133102439

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate (CID 134683250) is methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(N)c(OC)n1.
What is the InChIKey of methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate?
The InChIKey is PUXCVXJVEGYGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-16-7(15)4-5-3-6(9(11)12)8(13)10(14-5)17-2/h3,9H,4,13H2,1-2H3.
What are the key properties of methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate?
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-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-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate is sourced from PubChem (CID 134683250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).