pyridine-4-carbaldehyde;hydrochloride

C6H6ClNO — CID 21262295

IUPACpyridine-4-carbaldehyde;hydrochloride
SMILESCl.O=Cc1ccncc1
InChIInChI=1S/C6H5NO.ClH/c8-5-6-1-3-7-4-2-6;/h1-5H;1H
InChIKeyCURKKCDREOEDCT-UHFFFAOYSA-N
MW143.57 g/mol
LogP1.32
Rot. Bonds1

About pyridine-4-carbaldehyde;hydrochloride

pyridine-4-carbaldehyde;hydrochloride (PubChem CID 21262295) has the molecular formula C6H6ClNO and a molecular weight of 143.57 g/mol. Its IUPAC name is pyridine-4-carbaldehyde;hydrochloride.

Molecular Properties

Compound Namepyridine-4-carbaldehyde;hydrochloride
PubChem CID21262295
Molecular FormulaC6H6ClNO
Molecular Weight143.57 g/mol
Exact Mass143.01
IUPAC Namepyridine-4-carbaldehyde;hydrochloride
SMILESCl.O=Cc1ccncc1
InChIInChI=1S/C6H5NO.ClH/c8-5-6-1-3-7-4-2-6;/h1-5H;1H
InChIKeyCURKKCDREOEDCT-UHFFFAOYSA-N
XLogP1.32
TPSA29.96 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 ≤ 51.32
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 pyridine-4-carbaldehyde;hydrochloride?
The IUPAC name of pyridine-4-carbaldehyde;hydrochloride (CID 21262295) is pyridine-4-carbaldehyde;hydrochloride.
What is the SMILES notation for pyridine-4-carbaldehyde;hydrochloride?
The canonical SMILES for pyridine-4-carbaldehyde;hydrochloride is Cl.O=Cc1ccncc1.
What is the InChIKey of pyridine-4-carbaldehyde;hydrochloride?
The InChIKey is CURKKCDREOEDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.ClH/c8-5-6-1-3-7-4-2-6;/h1-5H;1H.
What are the key properties of pyridine-4-carbaldehyde;hydrochloride?
pyridine-4-carbaldehyde;hydrochloride has a molecular weight of 143.57 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-4-carbaldehyde;hydrochloride is sourced from PubChem (CID 21262295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).