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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Related Compounds

3-(2,3-dichlorophenyl)-5-methylpyridine
CID 143008632
5-(2,3-dichlorophenyl)pyrimidine-2-carbaldehyde
CID 130088699
5-(2,3-dichlorophenyl)-6-methylpyrazin-2-amine
CID 142143814
5-chloro-2-(2,3-difluorophenyl)pyridine-3-carbaldehyde
CID 133093654
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105
2,5-dimethylpyridine-3-carbaldehyde
CID 18731661
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
2-(2,3-dichlorophenyl)-3,4-dimethyl-5-(4-methylsulfinylphenyl)pyridine
CID 57297527
5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
CID 133090767
4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
CID 81448115
6-(2,3-dichlorophenyl)pyridine-3-carbaldehyde
CID 24730313
2,3-dichlorobenzaldehyde;methanol
CID 162040206

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).