5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid

C9H9F3N2O3 — CID 83919745

IUPAC5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1noc2c1CN(CC(F)(F)F)CC2
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)4-14-2-1-6-5(3-14)7(8(15)16)13-17-6/h1-4H2,(H,15,16)
InChIKeyJCPVMYTVHRIXBE-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.29
Rot. Bonds2

About 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid

5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid (PubChem CID 83919745) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
PubChem CID83919745
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1noc2c1CN(CC(F)(F)F)CC2
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)4-14-2-1-6-5(3-14)7(8(15)16)13-17-6/h1-4H2,(H,15,16)
InChIKeyJCPVMYTVHRIXBE-UHFFFAOYSA-N
XLogP1.29
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid (CID 83919745) is 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid is O=C(O)c1noc2c1CN(CC(F)(F)F)CC2.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid?
The InChIKey is JCPVMYTVHRIXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)4-14-2-1-6-5(3-14)7(8(15)16)13-17-6/h1-4H2,(H,15,16).
What are the key properties of 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid?
5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid has a molecular weight of 250.18 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 83919745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).