3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid

C10H11F3N2O3 — CID 68896418

IUPAC3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid
SMILESO=C(O)NCCCn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)7-3-1-5-15(8(7)16)6-2-4-14-9(17)18/h1,3,5,14H,2,4,6H2,(H,17,18)
InChIKeyMXUIYIRQZXFTID-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.52
Rot. Bonds4

About 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid

3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid (PubChem CID 68896418) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid.

Molecular Properties

Compound Name3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid
PubChem CID68896418
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid
SMILESO=C(O)NCCCn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C10H11F3N2O3/c11-10(12,13)7-3-1-5-15(8(7)16)6-2-4-14-9(17)18/h1,3,5,14H,2,4,6H2,(H,17,18)
InChIKeyMXUIYIRQZXFTID-UHFFFAOYSA-N
XLogP1.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid?
The IUPAC name of 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid (CID 68896418) is 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid.
What is the SMILES notation for 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid?
The canonical SMILES for 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid is O=C(O)NCCCn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid?
The InChIKey is MXUIYIRQZXFTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c11-10(12,13)7-3-1-5-15(8(7)16)6-2-4-14-9(17)18/h1,3,5,14H,2,4,6H2,(H,17,18).
What are the key properties of 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid?
3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid has a molecular weight of 264.20 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]propylcarbamic acid is sourced from PubChem (CID 68896418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).