3,4-dichloropyridine-2-carbaldehyde

C6H3Cl2NO — CID 18516123

IUPAC3,4-dichloropyridine-2-carbaldehyde
SMILESO=Cc1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO/c7-4-1-2-9-5(3-10)6(4)8/h1-3H
InChIKeyMBODELDJDBEGMV-UHFFFAOYSA-N
MW176.00 g/mol
LogP2.20
Rot. Bonds1

About 3,4-dichloropyridine-2-carbaldehyde

3,4-dichloropyridine-2-carbaldehyde (PubChem CID 18516123) has the molecular formula C6H3Cl2NO and a molecular weight of 176.00 g/mol. Its IUPAC name is 3,4-dichloropyridine-2-carbaldehyde.

Molecular Properties

Compound Name3,4-dichloropyridine-2-carbaldehyde
PubChem CID18516123
Molecular FormulaC6H3Cl2NO
Molecular Weight176.00 g/mol
Exact Mass174.96
IUPAC Name3,4-dichloropyridine-2-carbaldehyde
SMILESO=Cc1nccc(Cl)c1Cl
InChIInChI=1S/C6H3Cl2NO/c7-4-1-2-9-5(3-10)6(4)8/h1-3H
InChIKeyMBODELDJDBEGMV-UHFFFAOYSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.00
LogP ≤ 52.20
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 3,4-dichloropyridine-2-carbaldehyde?
The IUPAC name of 3,4-dichloropyridine-2-carbaldehyde (CID 18516123) is 3,4-dichloropyridine-2-carbaldehyde.
What is the SMILES notation for 3,4-dichloropyridine-2-carbaldehyde?
The canonical SMILES for 3,4-dichloropyridine-2-carbaldehyde is O=Cc1nccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloropyridine-2-carbaldehyde?
The InChIKey is MBODELDJDBEGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO/c7-4-1-2-9-5(3-10)6(4)8/h1-3H.
What are the key properties of 3,4-dichloropyridine-2-carbaldehyde?
3,4-dichloropyridine-2-carbaldehyde has a molecular weight of 176.00 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloropyridine-2-carbaldehyde is sourced from PubChem (CID 18516123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).