1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde

C15H13NO2 — CID 82521197

IUPAC1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)n(C2CC2)c1=O
InChIInChI=1S/C15H13NO2/c17-10-12-6-9-14(11-4-2-1-3-5-11)16(15(12)18)13-7-8-13/h1-6,9-10,13H,7-8H2
InChIKeyBVSDNZGHVRXGQO-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.66
Rot. Bonds3

About 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde

1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde (PubChem CID 82521197) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde
PubChem CID82521197
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde
SMILESO=Cc1ccc(-c2ccccc2)n(C2CC2)c1=O
InChIInChI=1S/C15H13NO2/c17-10-12-6-9-14(11-4-2-1-3-5-11)16(15(12)18)13-7-8-13/h1-6,9-10,13H,7-8H2
InChIKeyBVSDNZGHVRXGQO-UHFFFAOYSA-N
XLogP2.66
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.66
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

1-cyclopentyl-2-oxo-6-phenylpyridine-3-carbaldehyde
CID 82521060
3-(chloromethyl)-1-cyclopropyl-6-phenylpyridin-2-one
CID 82521184
3-cyclopropyl-4-phenyl-1H-imidazol-2-one
CID 57455732
1-cyclopropyl-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82520836
6-(4-chlorophenyl)-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
CID 82519288
1-cyclopropyl-2-phenylbenzo[b][1,8]naphthyridin-4-one
CID 102448592
1-cyclopropyl-2-phenylindole
CID 162400669
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
2-(3-cyclopropyl-2-oxo-4-phenylimidazol-1-yl)acetic acid
CID 58011929
1-cyclopropyl-2-methyl-5-pyridin-3-ylpyrrole-3-carbaldehyde
CID 91672164
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735050

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde?
The IUPAC name of 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde (CID 82521197) is 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde.
What is the SMILES notation for 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde?
The canonical SMILES for 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde is O=Cc1ccc(-c2ccccc2)n(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde?
The InChIKey is BVSDNZGHVRXGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-10-12-6-9-14(11-4-2-1-3-5-11)16(15(12)18)13-7-8-13/h1-6,9-10,13H,7-8H2.
What are the key properties of 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde?
1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde has a molecular weight of 239.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxo-6-phenylpyridine-3-carbaldehyde is sourced from PubChem (CID 82521197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).