2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one

C19H13NO3 — CID 56666526

IUPAC2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1Oc2ccc3ccccc3c2CC1C(=O)c1ccncc1
InChIInChI=1S/C19H13NO3/c21-18(13-7-9-20-10-8-13)16-11-15-14-4-2-1-3-12(14)5-6-17(15)23-19(16)22/h1-10,16H,11H2
InChIKeyVTBGLORCNPIZAB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.20
Rot. Bonds2

About 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one

2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one (PubChem CID 56666526) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one.

Molecular Properties

Compound Name2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one
PubChem CID56666526
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one
SMILESO=C1Oc2ccc3ccccc3c2CC1C(=O)c1ccncc1
InChIInChI=1S/C19H13NO3/c21-18(13-7-9-20-10-8-13)16-11-15-14-4-2-1-3-12(14)5-6-17(15)23-19(16)22/h1-10,16H,11H2
InChIKeyVTBGLORCNPIZAB-UHFFFAOYSA-N
XLogP3.20
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one?
The IUPAC name of 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one (CID 56666526) is 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one.
What is the SMILES notation for 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one?
The canonical SMILES for 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one is O=C1Oc2ccc3ccccc3c2CC1C(=O)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one?
The InChIKey is VTBGLORCNPIZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c21-18(13-7-9-20-10-8-13)16-11-15-14-4-2-1-3-12(14)5-6-17(15)23-19(16)22/h1-10,16H,11H2.
What are the key properties of 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one?
2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one has a molecular weight of 303.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one is sourced from PubChem (CID 56666526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).