2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde

C14H10F3NO — CID 87368454

IUPAC2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde
SMILESO=CCc1cccc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)11-4-1-3-10(9-11)13-6-2-5-12(18-13)7-8-19/h1-6,8-9H,7H2
InChIKeyYSSHWLFNJCTWKV-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.51
Rot. Bonds3

About 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde

2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde (PubChem CID 87368454) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde
PubChem CID87368454
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde
SMILESO=CCc1cccc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)11-4-1-3-10(9-11)13-6-2-5-12(18-13)7-8-19/h1-6,8-9H,7H2
InChIKeyYSSHWLFNJCTWKV-UHFFFAOYSA-N
XLogP3.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.51
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 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde?
The IUPAC name of 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde (CID 87368454) is 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde?
The canonical SMILES for 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde is O=CCc1cccc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde?
The InChIKey is YSSHWLFNJCTWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)11-4-1-3-10(9-11)13-6-2-5-12(18-13)7-8-19/h1-6,8-9H,7H2.
What are the key properties of 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde?
2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde has a molecular weight of 265.23 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde is sourced from PubChem (CID 87368454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).