2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde

C14H10F3NO — CID 134850494

IUPAC2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde
SMILESO=Cc1ccccc1Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13-7-3-6-12(18-13)8-10-4-1-2-5-11(10)9-19/h1-7,9H,8H2
InChIKeyVWFUTWMFTWHZRK-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.50
Rot. Bonds3

About 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde

2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde (PubChem CID 134850494) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde
PubChem CID134850494
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde
SMILESO=Cc1ccccc1Cc1cccc(C(F)(F)F)n1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13-7-3-6-12(18-13)8-10-4-1-2-5-11(10)9-19/h1-7,9H,8H2
InChIKeyVWFUTWMFTWHZRK-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Pyridin-2-ylbenzaldehyde
CID 1515240
2-(4-Pyridinyl)benzaldehyde
CID 642850
2-(Pyridin-3-Yl)Benzaldehyde
CID 3857593
4,6-Dimethylpyridine-2-carbaldehyde
CID 225519
[6-(4-Fluorobenzoyl)-2-pyridyl]-(4-fluorophenyl)methanone
CID 365542
US10626095, Example 623
CID 122476029
3-(Pyridin-2-yl)benzaldehyde
CID 3710039
2-Methylquinoline-6-carboxaldehyde
CID 7537486
2-Methylquinoline-4-carbaldehyde
CID 13566834
6-(4-Fluorophenyl)-2-pyridinecarboxaldehyde
CID 16217950
8-(Trifluoromethyl)quinoline-2-carbaldehyde
CID 24271785
2-Phenylpyridine-3-carboxaldehyde
CID 12581874

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde?
The IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde (CID 134850494) is 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde?
The canonical SMILES for 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde is O=Cc1ccccc1Cc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde?
The InChIKey is VWFUTWMFTWHZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)13-7-3-6-12(18-13)8-10-4-1-2-5-11(10)9-19/h1-7,9H,8H2.
What are the key properties of 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde?
2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde has a molecular weight of 265.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]benzaldehyde is sourced from PubChem (CID 134850494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).