2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid

C9H6F6N2O3 — CID 133087681

IUPAC2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESNc1cnc(C(F)(F)F)c(OC(F)(F)F)c1CC(=O)O
InChIInChI=1S/C9H6F6N2O3/c10-8(11,12)7-6(20-9(13,14)15)3(1-5(18)19)4(16)2-17-7/h2H,1,16H2,(H,18,19)
InChIKeyDRESCAYIOQZHKV-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.21
Rot. Bonds3

About 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid

2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 133087681) has the molecular formula C9H6F6N2O3 and a molecular weight of 304.15 g/mol. Its IUPAC name is 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
PubChem CID133087681
Molecular FormulaC9H6F6N2O3
Molecular Weight304.15 g/mol
Exact Mass304.03
IUPAC Name2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
SMILESNc1cnc(C(F)(F)F)c(OC(F)(F)F)c1CC(=O)O
InChIInChI=1S/C9H6F6N2O3/c10-8(11,12)7-6(20-9(13,14)15)3(1-5(18)19)4(16)2-17-7/h2H,1,16H2,(H,18,19)
InChIKeyDRESCAYIOQZHKV-UHFFFAOYSA-N
XLogP2.21
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425
2-[5-(bromomethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134663717
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118998425
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395
2-[5-hydroxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680979
2-[2-(fluoromethyl)-5-hydroxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134681335
2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118848779
2-[4-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134682200
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
4-(aminomethyl)-6-chloro-5-(trifluoromethoxy)pyridin-3-amine
CID 131601158
2-[4-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671599
5-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134665255

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid (CID 133087681) is 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid is Nc1cnc(C(F)(F)F)c(OC(F)(F)F)c1CC(=O)O.
What is the InChIKey of 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is DRESCAYIOQZHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O3/c10-8(11,12)7-6(20-9(13,14)15)3(1-5(18)19)4(16)2-17-7/h2H,1,16H2,(H,18,19).
What are the key properties of 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid?
2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 304.15 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 133087681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).