3-chloro-2H-pyridine-3-carbaldehyde

C6H6ClNO — CID 87217913

IUPAC3-chloro-2H-pyridine-3-carbaldehyde
SMILESO=CC1(Cl)C=CC=NC1
InChIInChI=1S/C6H6ClNO/c7-6(5-9)2-1-3-8-4-6/h1-3,5H,4H2
InChIKeyGOVZXPISYSEJNU-UHFFFAOYSA-N
MW143.57 g/mol
LogP0.80
Rot. Bonds1

About 3-chloro-2H-pyridine-3-carbaldehyde

3-chloro-2H-pyridine-3-carbaldehyde (PubChem CID 87217913) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is 3-chloro-2H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name3-chloro-2H-pyridine-3-carbaldehyde
PubChem CID87217913
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Name3-chloro-2H-pyridine-3-carbaldehyde
SMILESO=CC1(Cl)C=CC=NC1
InChIInChI=1S/C6H6ClNO/c7-6(5-9)2-1-3-8-4-6/h1-3,5H,4H2
InChIKeyGOVZXPISYSEJNU-UHFFFAOYSA-N
XLogP0.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.57
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2H-pyridine-3-carbaldehyde?
The IUPAC name of 3-chloro-2H-pyridine-3-carbaldehyde (CID 87217913) is 3-chloro-2H-pyridine-3-carbaldehyde.
What is the SMILES notation for 3-chloro-2H-pyridine-3-carbaldehyde?
The canonical SMILES for 3-chloro-2H-pyridine-3-carbaldehyde is O=CC1(Cl)C=CC=NC1.
What is the InChIKey of 3-chloro-2H-pyridine-3-carbaldehyde?
The InChIKey is GOVZXPISYSEJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO/c7-6(5-9)2-1-3-8-4-6/h1-3,5H,4H2.
What are the key properties of 3-chloro-2H-pyridine-3-carbaldehyde?
3-chloro-2H-pyridine-3-carbaldehyde has a molecular weight of 143.57 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2H-pyridine-3-carbaldehyde is sourced from PubChem (CID 87217913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).