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

C9H9F3N2O2 — CID 133098182

IUPACmethyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)(F)F)ccnc1N
InChIInChI=1S/C9H9F3N2O2/c1-16-7(15)4-5-6(9(10,11)12)2-3-14-8(5)13/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyCEMMGLXDIMAOMO-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.40
Rot. Bonds2

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

methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate (PubChem CID 133098182) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate
PubChem CID133098182
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Namemethyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)(F)F)ccnc1N
InChIInChI=1S/C9H9F3N2O2/c1-16-7(15)4-5-6(9(10,11)12)2-3-14-8(5)13/h2-3H,4H2,1H3,(H2,13,14)
InChIKeyCEMMGLXDIMAOMO-UHFFFAOYSA-N
XLogP1.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-amino-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118704003
methyl 2-(2-amino-3-methyl-4-pyridinyl)acetate
CID 130867118
methyl 2-[3-ethyl-2,6-bis(trifluoromethyl)phenyl]acetate
CID 134614131
methyl 2-[3-amino-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098272
methyl 2-[4-chloro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097693
ethyl 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133098254
methyl 2-(3-amino-2-methyl-4-pyridinyl)acetate
CID 130681269
methyl 2-[6-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134671583
methyl 2-[3-iodo-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134638465
ethyl 2-[3-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 171028667
methyl 2-[3-(chloromethyl)-2-cyano-6-(trifluoromethyl)phenyl]acetate
CID 134635019
2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098315

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate (CID 133098182) is methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1c(C(F)(F)F)ccnc1N.
What is the InChIKey of methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate?
The InChIKey is CEMMGLXDIMAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-16-7(15)4-5-6(9(10,11)12)2-3-14-8(5)13/h2-3H,4H2,1H3,(H2,13,14).
What are the key properties of methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate?
methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate has a molecular weight of 234.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-4-(trifluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 133098182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).