2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde

C13H9Cl2NO — CID 118841863

IUPAC2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cnc(-c2cccc(Cl)c2Cl)c(C=O)c1
InChIInChI=1S/C13H9Cl2NO/c1-8-5-9(7-17)13(16-6-8)10-3-2-4-11(14)12(10)15/h2-7H,1H3
InChIKeyIRIQQNOYCNVBDI-UHFFFAOYSA-N
MW266.13 g/mol
LogP4.18
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde

2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde (PubChem CID 118841863) has the molecular formula C13H9Cl2NO and a molecular weight of 266.13 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde
PubChem CID118841863
Molecular FormulaC13H9Cl2NO
Molecular Weight266.13 g/mol
Exact Mass265.01
IUPAC Name2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde
SMILESCc1cnc(-c2cccc(Cl)c2Cl)c(C=O)c1
InChIInChI=1S/C13H9Cl2NO/c1-8-5-9(7-17)13(16-6-8)10-3-2-4-11(14)12(10)15/h2-7H,1H3
InChIKeyIRIQQNOYCNVBDI-UHFFFAOYSA-N
XLogP4.18
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.18
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-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde (CID 118841863) is 2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde is Cc1cnc(-c2cccc(Cl)c2Cl)c(C=O)c1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde?
The InChIKey is IRIQQNOYCNVBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO/c1-8-5-9(7-17)13(16-6-8)10-3-2-4-11(14)12(10)15/h2-7H,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde?
2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde has a molecular weight of 266.13 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 118841863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).