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

C8H7F3N2O2 — CID 133098319

IUPAC2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1cnc(CC(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-1-4(12)3-13-6(5)2-7(14)15/h1,3H,2,12H2,(H,14,15)
InChIKeyVBOIDHMRMPWLLQ-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.31
Rot. Bonds2

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

2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid (PubChem CID 133098319) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
PubChem CID133098319
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
SMILESNc1cnc(CC(=O)O)c(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-1-4(12)3-13-6(5)2-7(14)15/h1,3H,2,12H2,(H,14,15)
InChIKeyVBOIDHMRMPWLLQ-UHFFFAOYSA-N
XLogP1.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134683635
6-(aminomethyl)-5-(trifluoromethyl)pyridin-3-amine
CID 156681115
2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133098315
2-[5-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134628691
5-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde;hydrochloride
CID 146174185
6-fluoro-5-(trifluoromethyl)pyridin-3-amine
CID 130775197
2-[4-chloro-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118816812
2-[6-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118848517
2-[4-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118823447
2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131498013
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741
2-(3-amino-5-chloro-2-pyridinyl)acetic acid
CID 55252749

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid (CID 133098319) is 2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid is Nc1cnc(CC(=O)O)c(C(F)(F)F)c1.
What is the InChIKey of 2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
The InChIKey is VBOIDHMRMPWLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)5-1-4(12)3-13-6(5)2-7(14)15/h1,3H,2,12H2,(H,14,15).
What are the key properties of 2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid?
2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid has a molecular weight of 220.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(trifluoromethyl)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133098319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).