2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid

C8H6F4N2O2 — CID 69342492

IUPAC2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid
SMILESO=C(O)NCCc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8H6F4N2O2/c9-4-3(1-2-13-8(15)16)5(10)7(12)14-6(4)11/h13H,1-2H2,(H,15,16)
InChIKeyCHYDXHNSLTUOTE-UHFFFAOYSA-N
MW238.14 g/mol
LogP1.45
Rot. Bonds3

About 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid

2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid (PubChem CID 69342492) has the molecular formula C8H6F4N2O2 and a molecular weight of 238.14 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid
PubChem CID69342492
Molecular FormulaC8H6F4N2O2
Molecular Weight238.14 g/mol
Exact Mass238.04
IUPAC Name2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid
SMILESO=C(O)NCCc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8H6F4N2O2/c9-4-3(1-2-13-8(15)16)5(10)7(12)14-6(4)11/h13H,1-2H2,(H,15,16)
InChIKeyCHYDXHNSLTUOTE-UHFFFAOYSA-N
XLogP1.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid?
The IUPAC name of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid (CID 69342492) is 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid.
What is the SMILES notation for 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid?
The canonical SMILES for 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid is O=C(O)NCCc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid?
The InChIKey is CHYDXHNSLTUOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O2/c9-4-3(1-2-13-8(15)16)5(10)7(12)14-6(4)11/h13H,1-2H2,(H,15,16).
What are the key properties of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid?
2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid has a molecular weight of 238.14 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethylcarbamic acid is sourced from PubChem (CID 69342492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).