2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde

C14H10F3NO — CID 172913846

IUPAC2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ncc(C(F)(F)F)cc2C=O)cc1
InChIInChI=1S/C14H10F3NO/c1-9-2-4-10(5-3-9)13-11(8-19)6-12(7-18-13)14(15,16)17/h2-8H,1H3
InChIKeyDNZOZXNWBPHVTI-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.89
Rot. Bonds2

About 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde

2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 172913846) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID172913846
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESCc1ccc(-c2ncc(C(F)(F)F)cc2C=O)cc1
InChIInChI=1S/C14H10F3NO/c1-9-2-4-10(5-3-9)13-11(8-19)6-12(7-18-13)14(15,16)17/h2-8H,1H3
InChIKeyDNZOZXNWBPHVTI-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

2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 172913849
5-chloro-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134629506
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
2-(3-methylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649099
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-fluorobenzaldehyde
CID 15335409
2-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-5-(trifluoromethyl)pyridine
CID 169072353
2-(2,4-dimethylphenyl)-5-(trifluoromethyl)benzaldehyde
CID 172649093
2,3-dimethyl-5-(trifluoromethyl)benzaldehyde
CID 162568295
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine
CID 86192063
3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine
CID 154542666
3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 131869828

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde (CID 172913846) is 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde is Cc1ccc(-c2ncc(C(F)(F)F)cc2C=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is DNZOZXNWBPHVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-9-2-4-10(5-3-9)13-11(8-19)6-12(7-18-13)14(15,16)17/h2-8H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde?
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde 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 2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 172913846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).