2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid

C8H6ClF3N2O3 — CID 118811812

IUPAC2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNc1cc(Cl)nc(CC(=O)O)c1OC(F)(F)F
InChIInChI=1S/C8H6ClF3N2O3/c9-5-1-3(13)7(17-8(10,11)12)4(14-5)2-6(15)16/h1H,2H2,(H2,13,14)(H,15,16)
InChIKeyPNQUTPYCLIODNU-UHFFFAOYSA-N
MW270.59 g/mol
LogP1.84
Rot. Bonds3

About 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid

2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 118811812) has the molecular formula C8H6ClF3N2O3 and a molecular weight of 270.59 g/mol. Its IUPAC name is 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID118811812
Molecular FormulaC8H6ClF3N2O3
Molecular Weight270.59 g/mol
Exact Mass270.00
IUPAC Name2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNc1cc(Cl)nc(CC(=O)O)c1OC(F)(F)F
InChIInChI=1S/C8H6ClF3N2O3/c9-5-1-3(13)7(17-8(10,11)12)4(14-5)2-6(15)16/h1H,2H2,(H2,13,14)(H,15,16)
InChIKeyPNQUTPYCLIODNU-UHFFFAOYSA-N
XLogP1.84
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-chloro-2-(trifluoromethoxy)benzoic acid
CID 134649916
2-[2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118826870
2-[6-(chloromethyl)-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134676110
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
2-[4-(chloromethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118835497
2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425
2-[6-(chloromethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134671824
2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133085515
2-[5-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134668050
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
2-[2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820188
[4-amino-6-(fluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118811822

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 118811812) is 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid is Nc1cc(Cl)nc(CC(=O)O)c1OC(F)(F)F.
What is the InChIKey of 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is PNQUTPYCLIODNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O3/c9-5-1-3(13)7(17-8(10,11)12)4(14-5)2-6(15)16/h1H,2H2,(H2,13,14)(H,15,16).
What are the key properties of 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 270.59 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-chloro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118811812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).