2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde

C13H8F3NO2 — CID 59599723

IUPAC2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(-c2cccnc2)cc(C(F)(F)F)c1O
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)11-5-9(4-10(7-18)12(11)19)8-2-1-3-17-6-8/h1-7,19H
InChIKeyRCSCJURTYIPEBO-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.29
Rot. Bonds2

About 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde

2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde (PubChem CID 59599723) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde
PubChem CID59599723
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(-c2cccnc2)cc(C(F)(F)F)c1O
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)11-5-9(4-10(7-18)12(11)19)8-2-1-3-17-6-8/h1-7,19H
InChIKeyRCSCJURTYIPEBO-UHFFFAOYSA-N
XLogP3.29
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
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 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde (CID 59599723) is 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde is O=Cc1cc(-c2cccnc2)cc(C(F)(F)F)c1O.
What is the InChIKey of 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde?
The InChIKey is RCSCJURTYIPEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)11-5-9(4-10(7-18)12(11)19)8-2-1-3-17-6-8/h1-7,19H.
What are the key properties of 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde?
2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde has a molecular weight of 267.21 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-pyridin-3-yl-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 59599723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).