formaldehyde;pyridine-2-carbaldehyde

C7H7NO2 — CID 161262172

IUPACformaldehyde;pyridine-2-carbaldehyde
SMILESC=O.O=Cc1ccccn1
InChIInChI=1S/C6H5NO.CH2O/c8-5-6-3-1-2-4-7-6;1-2/h1-5H;1H2
InChIKeyVCRVWWWVEHRJBT-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.71
Rot. Bonds1

About formaldehyde;pyridine-2-carbaldehyde

formaldehyde;pyridine-2-carbaldehyde (PubChem CID 161262172) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is formaldehyde;pyridine-2-carbaldehyde.

Molecular Properties

Compound Nameformaldehyde;pyridine-2-carbaldehyde
PubChem CID161262172
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Nameformaldehyde;pyridine-2-carbaldehyde
SMILESC=O.O=Cc1ccccn1
InChIInChI=1S/C6H5NO.CH2O/c8-5-6-3-1-2-4-7-6;1-2/h1-5H;1H2
InChIKeyVCRVWWWVEHRJBT-UHFFFAOYSA-N
XLogP0.71
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-2-ene;ethene;pyridine-2-carbaldehyde
CID 142875353
6-bromopyridine-2-carbaldehyde;pyridine-2-carbaldehyde
CID 157151711
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
N-methylcyclohexanamine;pyridine-2-carbaldehyde
CID 153367547
2-ethenylpyridine;rhodium
CID 174919762
2-ethenylpyridine;hexahydroiodide
CID 70487032
2-ethenylpyridine;hydrate
CID 67843107
(2E)-5-pyridin-2-ylpenta-2,4-dienal
CID 87959329
1-ethylpyridin-1-ium-4-carbaldehyde;pyridine-2-carbaldehyde
CID 87802133
2-ethenylpyridine;molecular iodine
CID 56841465
2-penta-1,4-dienylpyridine
CID 66927735
5-[(Z)-2-pyridin-2-ylethenyl]-1H-pyrrole-2-carbaldehyde
CID 15852211

Frequently Asked Questions

What is the IUPAC name of formaldehyde;pyridine-2-carbaldehyde?
The IUPAC name of formaldehyde;pyridine-2-carbaldehyde (CID 161262172) is formaldehyde;pyridine-2-carbaldehyde.
What is the SMILES notation for formaldehyde;pyridine-2-carbaldehyde?
The canonical SMILES for formaldehyde;pyridine-2-carbaldehyde is C=O.O=Cc1ccccn1.
What is the InChIKey of formaldehyde;pyridine-2-carbaldehyde?
The InChIKey is VCRVWWWVEHRJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO.CH2O/c8-5-6-3-1-2-4-7-6;1-2/h1-5H;1H2.
What are the key properties of formaldehyde;pyridine-2-carbaldehyde?
formaldehyde;pyridine-2-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;pyridine-2-carbaldehyde is sourced from PubChem (CID 161262172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).