2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile

C19H10N2O3 — CID 71770112

IUPAC2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc3c(ccc4ccccc43)oc2=O)[nH]c1=O
InChIInChI=1S/C19H10N2O3/c20-10-12-5-7-16(21-18(12)22)15-9-14-13-4-2-1-3-11(13)6-8-17(14)24-19(15)23/h1-9H,(H,21,22)
InChIKeyMCUADDYDLKGQBY-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.17
Rot. Bonds1

About 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile

2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile (PubChem CID 71770112) has the molecular formula C19H10N2O3 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile
PubChem CID71770112
Molecular FormulaC19H10N2O3
Molecular Weight314.30 g/mol
Exact Mass314.07
IUPAC Name2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc3c(ccc4ccccc43)oc2=O)[nH]c1=O
InChIInChI=1S/C19H10N2O3/c20-10-12-5-7-16(21-18(12)22)15-9-14-13-4-2-1-3-11(13)6-8-17(14)24-19(15)23/h1-9H,(H,21,22)
InChIKeyMCUADDYDLKGQBY-UHFFFAOYSA-N
XLogP3.17
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(1-benzofuran-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 54261838
2-(1H-benzimidazol-3-ium-2-yl)benzo[f]chromen-3-one
CID 2054739
2-(3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)benzo[f]chromen-3-one
CID 4574501
2-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzo[f]chromen-3-one
CID 4036429
2-(4-hydroxyphenyl)benzo[f]chromen-3-one
CID 102366848
2-(4-anthracen-9-ylphenyl)benzo[f]chromen-3-one
CID 102171378
2-iodobenzo[f]chromen-3-one
CID 71734520
2-nitrobenzo[f]chromen-3-one
CID 13399886
2-(5-acetyl-6-oxopyran-2-yl)benzo[f]chromen-3-one
CID 71770111
2-(3,4-dimethoxyphenyl)benzo[f]chromen-3-one
CID 747847
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzo[f]chromen-3-one
CID 20904250
3-oxobenzo[f][1,4]benzoxazine-2-carbonitrile
CID 72723209

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile (CID 71770112) is 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile is N#Cc1ccc(-c2cc3c(ccc4ccccc43)oc2=O)[nH]c1=O.
What is the InChIKey of 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile?
The InChIKey is MCUADDYDLKGQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2O3/c20-10-12-5-7-16(21-18(12)22)15-9-14-13-4-2-1-3-11(13)6-8-17(14)24-19(15)23/h1-9H,(H,21,22).
What are the key properties of 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile?
2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile has a molecular weight of 314.30 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(3-oxobenzo[f]chromen-2-yl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 71770112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).