5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde

C12H7Cl2NO2 — CID 133092831

IUPAC5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-7(3-10(9)14)8-4-12(17)11(6-16)15-5-8/h1-6,17H
InChIKeyTZNAKMIXHCCERJ-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.57
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde

5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde (PubChem CID 133092831) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde
PubChem CID133092831
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde
SMILESO=Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C12H7Cl2NO2/c13-9-2-1-7(3-10(9)14)8-4-12(17)11(6-16)15-5-8/h1-6,17H
InChIKeyTZNAKMIXHCCERJ-UHFFFAOYSA-N
XLogP3.57
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-5-(4-propan-2-yloxyphenyl)pyridine-2-carbaldehyde
CID 167055598
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134626315
5-(3,4-dichlorophenyl)-2-methylphenol
CID 53219084
2-chloro-5-(6-methyl-3-pyridinyl)phenol
CID 83131135
4-(3,4-dichlorophenyl)phenol
CID 6452909
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol
CID 119006015
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
4-(3,4-dichlorophenyl)-1H-pyrrole-2-carbaldehyde
CID 96591689
3,5-dipyridin-4-ylpyridine-2-carbaldehyde
CID 131869593
5-(2,3-dichlorophenyl)-3-fluoropyridine-2-carbaldehyde
CID 133091105
2-[3-amino-5-(3,4-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133087087

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde (CID 133092831) is 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde is O=Cc1ncc(-c2ccc(Cl)c(Cl)c2)cc1O.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde?
The InChIKey is TZNAKMIXHCCERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-9-2-1-7(3-10(9)14)8-4-12(17)11(6-16)15-5-8/h1-6,17H.
What are the key properties of 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde?
5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde has a molecular weight of 268.10 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-hydroxypyridine-2-carbaldehyde is sourced from PubChem (CID 133092831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).