methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate

C11H11F5N2O3 — CID 134682211

IUPACmethyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(OC(F)(F)F)c(C(F)F)c1CN
InChIInChI=1S/C11H11F5N2O3/c1-20-7(19)2-5-4-18-10(21-11(14,15)16)8(9(12)13)6(5)3-17/h4,9H,2-3,17H2,1H3
InChIKeyGCEYXVWTOTZSFB-UHFFFAOYSA-N
MW314.21 g/mol
LogP2.09
Rot. Bonds5

About methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate

methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate (PubChem CID 134682211) has the molecular formula C11H11F5N2O3 and a molecular weight of 314.21 g/mol. Its IUPAC name is methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
PubChem CID134682211
Molecular FormulaC11H11F5N2O3
Molecular Weight314.21 g/mol
Exact Mass314.07
IUPAC Namemethyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(OC(F)(F)F)c(C(F)F)c1CN
InChIInChI=1S/C11H11F5N2O3/c1-20-7(19)2-5-4-18-10(21-11(14,15)16)8(9(12)13)6(5)3-17/h4,9H,2-3,17H2,1H3
InChIKeyGCEYXVWTOTZSFB-UHFFFAOYSA-N
XLogP2.09
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate with MolForge

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Related Compounds

2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
methyl 2-[4-(difluoromethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658983
2-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
methyl 2-[4-(aminomethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668868
ethyl 2-[5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679121
methyl 2-[3-(aminomethyl)-2-methoxy-5-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134665613
2-[4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118824185
methyl 2-[3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086982
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
ethyl 2-[4-(aminomethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677113
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086983
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668311

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate (CID 134682211) is methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate is COC(=O)Cc1cnc(OC(F)(F)F)c(C(F)F)c1CN.
What is the InChIKey of methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The InChIKey is GCEYXVWTOTZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O3/c1-20-7(19)2-5-4-18-10(21-11(14,15)16)8(9(12)13)6(5)3-17/h4,9H,2-3,17H2,1H3.
What are the key properties of methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate?
methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate has a molecular weight of 314.21 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 134682211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).