formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol

C13H10F3NO3 — CID 175894605

IUPACformic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol
SMILESO=CO.Oc1cc(C(F)(F)F)ccc1-c1cccnc1
InChIInChI=1S/C12H8F3NO.CH2O2/c13-12(14,15)9-3-4-10(11(17)6-9)8-2-1-5-16-7-8;2-1-3/h1-7,17H;1H,(H,2,3)
InChIKeyNRAYZLQNEHIUKI-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.17
Rot. Bonds1

About formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol

formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol (PubChem CID 175894605) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Nameformic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol
PubChem CID175894605
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Nameformic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol
SMILESO=CO.Oc1cc(C(F)(F)F)ccc1-c1cccnc1
InChIInChI=1S/C12H8F3NO.CH2O2/c13-12(14,15)9-3-4-10(11(17)6-9)8-2-1-5-16-7-8;2-1-3/h1-7,17H;1H,(H,2,3)
InChIKeyNRAYZLQNEHIUKI-UHFFFAOYSA-N
XLogP3.17
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol?
The IUPAC name of formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol (CID 175894605) is formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol.
What is the SMILES notation for formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol?
The canonical SMILES for formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol is O=CO.Oc1cc(C(F)(F)F)ccc1-c1cccnc1.
What is the InChIKey of formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol?
The InChIKey is NRAYZLQNEHIUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO.CH2O2/c13-12(14,15)9-3-4-10(11(17)6-9)8-2-1-5-16-7-8;2-1-3/h1-7,17H;1H,(H,2,3).
What are the key properties of formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol?
formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol has a molecular weight of 285.22 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-pyridin-3-yl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 175894605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).