4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde

C13H8F3NO — CID 2763359

IUPAC4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)11-5-6-12(17-7-11)10-3-1-9(8-18)2-4-10/h1-8H
InChIKeySBXWMOPSHGIWEN-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.58
Rot. Bonds2

About 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde

4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde (PubChem CID 2763359) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
PubChem CID2763359
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C13H8F3NO/c14-13(15,16)11-5-6-12(17-7-11)10-3-1-9(8-18)2-4-10/h1-8H
InChIKeySBXWMOPSHGIWEN-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
The IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde (CID 2763359) is 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde.
What is the SMILES notation for 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
The canonical SMILES for 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde is O=Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
The InChIKey is SBXWMOPSHGIWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c14-13(15,16)11-5-6-12(17-7-11)10-3-1-9(8-18)2-4-10/h1-8H.
What are the key properties of 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde has a molecular weight of 251.21 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde is sourced from PubChem (CID 2763359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).