5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

C26H18F6N2O — CID 161232529

IUPAC5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccccc2C(F)(F)F)nc1.O=Cc1ccc(-c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C13H8F3NO.C13H10F3N/c14-13(15,16)11-4-2-1-3-10(11)12-6-5-9(8-18)7-17-12;1-9-6-7-12(17-8-9)10-4-2-3-5-11(10)13(14,15)16/h1-8H;2-8H,1H3
InChIKeyUYYCZFUKBOYHGV-UHFFFAOYSA-N
MW488.43 g/mol
LogP7.66
Rot. Bonds3

About 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde

5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 161232529) has the molecular formula C26H18F6N2O and a molecular weight of 488.43 g/mol. Its IUPAC name is 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID161232529
Molecular FormulaC26H18F6N2O
Molecular Weight488.43 g/mol
Exact Mass488.13
IUPAC Name5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ccccc2C(F)(F)F)nc1.O=Cc1ccc(-c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C13H8F3NO.C13H10F3N/c14-13(15,16)11-4-2-1-3-10(11)12-6-5-9(8-18)7-17-12;1-9-6-7-12(17-8-9)10-4-2-3-5-11(10)13(14,15)16/h1-8H;2-8H,1H3
InChIKeyUYYCZFUKBOYHGV-UHFFFAOYSA-N
XLogP7.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.43
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-quinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 11248796
(4-Fluorophenyl)[6-(4-fluorophenyl)-3-pyridinyl]methanone
CID 1485789
N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-4-o-tolylnicotinamide
CID 9846662
2-methyl-N-(4-(trifluoromethyl)phenyl)-6-(3-(trifluoromethyl)pyridin-2-yl)nicotinamide
CID 10387678
5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060383
5-(3,5-dimethylphenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060653
3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]-1H-quinolin-4-one
CID 67615767
3-methyl-2-[6-[2-(trifluoromethyl)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 67616522
4-Phenyl-quinoline-3-carbaldehyde
CID 1448354
2,2'-Bipyridine-4,4'-dicarboxaldehyde
CID 4171663
(2,2'-Bipyridine)-5,5'-dicarbaldehyde
CID 15547968
1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethanone
CID 10639706

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 161232529) is 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is Cc1ccc(-c2ccccc2C(F)(F)F)nc1.O=Cc1ccc(-c2ccccc2C(F)(F)F)nc1.
What is the InChIKey of 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is UYYCZFUKBOYHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO.C13H10F3N/c14-13(15,16)11-4-2-1-3-10(11)12-6-5-9(8-18)7-17-12;1-9-6-7-12(17-8-9)10-4-2-3-5-11(10)13(14,15)16/h1-8H;2-8H,1H3.
What are the key properties of 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde has a molecular weight of 488.43 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(trifluoromethyl)phenyl]pyridine;6-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 161232529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).