3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde

C14H10F3NO — CID 122476263

IUPAC3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde
SMILESCc1cc(C(F)(F)F)cc(-c2cccc(C=O)c2)n1
InChIInChI=1S/C14H10F3NO/c1-9-5-12(14(15,16)17)7-13(18-9)11-4-2-3-10(6-11)8-19/h2-8H,1H3
InChIKeySPXYXEDRXNQMMA-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.89
Rot. Bonds2

About 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde

3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde (PubChem CID 122476263) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde
PubChem CID122476263
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde
SMILESCc1cc(C(F)(F)F)cc(-c2cccc(C=O)c2)n1
InChIInChI=1S/C14H10F3NO/c1-9-5-12(14(15,16)17)7-13(18-9)11-4-2-3-10(6-11)8-19/h2-8H,1H3
InChIKeySPXYXEDRXNQMMA-UHFFFAOYSA-N
XLogP3.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.89
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

3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde
CID 105465951
2,6-bis(3-methylphenyl)-4-(trifluoromethyl)pyridine
CID 163288516
2-methyl-6-[3-(1H-pyrazol-5-yl)phenyl]-4-(trifluoromethyl)pyridine
CID 29088820
2-methyl-6-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine
CID 132934758
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
(NZ)-N-[[3-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]hydroxylamine
CID 97136470
3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 21105734
2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 57468745
3-[2-bromo-5-(trifluoromethyl)phenyl]benzaldehyde
CID 170795046
3-[2-chloro-4-(trifluoromethyl)phenyl]benzaldehyde
CID 173112639
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
3-(1-methylpyrazol-3-yl)benzaldehyde
CID 10511755

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
The IUPAC name of 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde (CID 122476263) is 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde.
What is the SMILES notation for 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
The canonical SMILES for 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde is Cc1cc(C(F)(F)F)cc(-c2cccc(C=O)c2)n1.
What is the InChIKey of 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
The InChIKey is SPXYXEDRXNQMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-9-5-12(14(15,16)17)7-13(18-9)11-4-2-3-10(6-11)8-19/h2-8H,1H3.
What are the key properties of 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde?
3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde has a molecular weight of 265.23 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzaldehyde is sourced from PubChem (CID 122476263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).