methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate

C10H9F5N2O2 — CID 134669740

IUPACmethyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(N)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C10H9F5N2O2/c1-19-6(18)2-5-7(9(11)12)8(10(13,14)15)4(16)3-17-5/h3,9H,2,16H2,1H3
InChIKeyNCWMZWCDQJSJHX-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.34
Rot. Bonds3

About methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate

methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 134669740) has the molecular formula C10H9F5N2O2 and a molecular weight of 284.18 g/mol. Its IUPAC name is methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID134669740
Molecular FormulaC10H9F5N2O2
Molecular Weight284.18 g/mol
Exact Mass284.06
IUPAC Namemethyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(N)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C10H9F5N2O2/c1-19-6(18)2-5-7(9(11)12)8(10(13,14)15)4(16)3-17-5/h3,9H,2,16H2,1H3
InChIKeyNCWMZWCDQJSJHX-UHFFFAOYSA-N
XLogP2.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086983
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
methyl 2-[5-(difluoromethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029227
methyl 2-[3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086982
methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134676457
methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133087324
ethyl 2-[4-(difluoromethyl)-5-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029305
methyl 2-[3-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134666514
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
methyl 2-[3-(difluoromethyl)-4-fluoro-5-methoxy-2-pyridinyl]acetate
CID 133105586
ethyl 2-[4-amino-5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134670668
methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133091158

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate (CID 134669740) is methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1ncc(N)c(C(F)(F)F)c1C(F)F.
What is the InChIKey of methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is NCWMZWCDQJSJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O2/c1-19-6(18)2-5-7(9(11)12)8(10(13,14)15)4(16)3-17-5/h3,9H,2,16H2,1H3.
What are the key properties of methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 284.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134669740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).