pyridine-2-carbaldehyde

C6H5NO — CID 14273

IUPACpyridine-2-carbaldehyde
SMILESO=Cc1ccccn1
InChIInChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
InChIKeyCSDSSGBPEUDDEE-UHFFFAOYSA-N
MW107.11 g/mol
LogP0.89
Rot. Bonds1

About pyridine-2-carbaldehyde

pyridine-2-carbaldehyde (PubChem CID 14273) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is pyridine-2-carbaldehyde.

Molecular Properties

Compound Namepyridine-2-carbaldehyde
PubChem CID14273
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Namepyridine-2-carbaldehyde
SMILESO=Cc1ccccn1
InChIInChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
InChIKeyCSDSSGBPEUDDEE-UHFFFAOYSA-N
XLogP0.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 50.89
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-2-carbaldehyde?
The IUPAC name of pyridine-2-carbaldehyde (CID 14273) is pyridine-2-carbaldehyde.
What is the SMILES notation for pyridine-2-carbaldehyde?
The canonical SMILES for pyridine-2-carbaldehyde is O=Cc1ccccn1.
What is the InChIKey of pyridine-2-carbaldehyde?
The InChIKey is CSDSSGBPEUDDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H.
What are the key properties of pyridine-2-carbaldehyde?
pyridine-2-carbaldehyde has a molecular weight of 107.11 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-2-carbaldehyde is sourced from PubChem (CID 14273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).