[5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate

C7H4F3NO3 — CID 67945166

IUPAC[5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-5(11-3-4)14-6(12)13/h1-3H,(H,12,13)
InChIKeyPVFXMWHSXARABY-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.16
Rot. Bonds1

About [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate

[5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate (PubChem CID 67945166) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate
PubChem CID67945166
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name[5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-5(11-3-4)14-6(12)13/h1-3H,(H,12,13)
InChIKeyPVFXMWHSXARABY-UHFFFAOYSA-N
XLogP2.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate (CID 67945166) is [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate is O=C(O)Oc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate?
The InChIKey is PVFXMWHSXARABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-5(11-3-4)14-6(12)13/h1-3H,(H,12,13).
What are the key properties of [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate?
[5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate has a molecular weight of 207.11 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 67945166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).