2,5-dimethyl-4-pyridin-4-ylbenzaldehyde

C14H13NO — CID 165456301

IUPAC2,5-dimethyl-4-pyridin-4-ylbenzaldehyde
SMILESCc1cc(-c2ccncc2)c(C)cc1C=O
InChIInChI=1S/C14H13NO/c1-10-8-14(11(2)7-13(10)9-16)12-3-5-15-6-4-12/h3-9H,1-2H3
InChIKeyKNXZLWYSWMRZPR-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.18
Rot. Bonds2

About 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde

2,5-dimethyl-4-pyridin-4-ylbenzaldehyde (PubChem CID 165456301) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-4-pyridin-4-ylbenzaldehyde
PubChem CID165456301
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2,5-dimethyl-4-pyridin-4-ylbenzaldehyde
SMILESCc1cc(-c2ccncc2)c(C)cc1C=O
InChIInChI=1S/C14H13NO/c1-10-8-14(11(2)7-13(10)9-16)12-3-5-15-6-4-12/h3-9H,1-2H3
InChIKeyKNXZLWYSWMRZPR-UHFFFAOYSA-N
XLogP3.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.18
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 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde?
The IUPAC name of 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde (CID 165456301) is 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde.
What is the SMILES notation for 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde?
The canonical SMILES for 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde is Cc1cc(-c2ccncc2)c(C)cc1C=O.
What is the InChIKey of 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde?
The InChIKey is KNXZLWYSWMRZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-8-14(11(2)7-13(10)9-16)12-3-5-15-6-4-12/h3-9H,1-2H3.
What are the key properties of 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde?
2,5-dimethyl-4-pyridin-4-ylbenzaldehyde has a molecular weight of 211.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-pyridin-4-ylbenzaldehyde is sourced from PubChem (CID 165456301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).