pyridine-1-carbaldehyde

C6H5NO — CID 57258506

IUPACpyridine-1-carbaldehyde
SMILESO=CN1C=C=CC=C1
InChIInChI=1S/C6H5NO/c8-6-7-4-2-1-3-5-7/h1-2,4-6H
InChIKeySFOZHBLBPVWVRX-UHFFFAOYSA-N
MW107.11 g/mol
LogP0.64
Rot. Bonds1

About pyridine-1-carbaldehyde

pyridine-1-carbaldehyde (PubChem CID 57258506) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is pyridine-1-carbaldehyde.

Molecular Properties

Compound Namepyridine-1-carbaldehyde
PubChem CID57258506
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Namepyridine-1-carbaldehyde
SMILESO=CN1C=C=CC=C1
InChIInChI=1S/C6H5NO/c8-6-7-4-2-1-3-5-7/h1-2,4-6H
InChIKeySFOZHBLBPVWVRX-UHFFFAOYSA-N
XLogP0.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-1-carbaldehyde?
The IUPAC name of pyridine-1-carbaldehyde (CID 57258506) is pyridine-1-carbaldehyde.
What is the SMILES notation for pyridine-1-carbaldehyde?
The canonical SMILES for pyridine-1-carbaldehyde is O=CN1C=C=CC=C1.
What is the InChIKey of pyridine-1-carbaldehyde?
The InChIKey is SFOZHBLBPVWVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c8-6-7-4-2-1-3-5-7/h1-2,4-6H.
What are the key properties of pyridine-1-carbaldehyde?
pyridine-1-carbaldehyde has a molecular weight of 107.11 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine-1-carbaldehyde is sourced from PubChem (CID 57258506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).