4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile

C19H11ClN2O — CID 13005069

IUPAC4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)c2c([nH]c1=O)-c1ccccc1C2
InChIInChI=1S/C19H11ClN2O/c20-13-7-5-11(6-8-13)17-15-9-12-3-1-2-4-14(12)18(15)22-19(23)16(17)10-21/h1-8H,9H2,(H,22,23)
InChIKeyPONQOOMYUCUPLD-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.14
Rot. Bonds1

About 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile

4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 13005069) has the molecular formula C19H11ClN2O and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID13005069
Molecular FormulaC19H11ClN2O
Molecular Weight318.76 g/mol
Exact Mass318.06
IUPAC Name4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)c2c([nH]c1=O)-c1ccccc1C2
InChIInChI=1S/C19H11ClN2O/c20-13-7-5-11(6-8-13)17-15-9-12-3-1-2-4-14(12)18(15)22-19(23)16(17)10-21/h1-8H,9H2,(H,22,23)
InChIKeyPONQOOMYUCUPLD-UHFFFAOYSA-N
XLogP4.14
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
CID 2816450
2,5-dichloro-4-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
CID 15010180
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
3-oxo-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile
CID 2737979
4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
CID 2816448
4-(4-chlorophenyl)-2-oxo-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile;4-methylmorpholine
CID 57149795
4-(4-chlorophenyl)-7-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
CID 11369958
2-(4-chlorophenyl)benzonitrile;hydrochloride
CID 175053913
2-amino-4-[2-(4-chlorophenyl)-1H-indol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139220923
10-oxo-1,4-bis(sulfanyl)-9H-anthracene-2,3-dicarbonitrile
CID 140979793
2-oxo-1H-cyclohepta[b]pyrrole-3-carbonitrile
CID 10080801
2-methyl-4-(4-methylsulfanylphenyl)-5H-indeno[1,2-b]pyridine-3-carbonitrile
CID 154644696

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile (CID 13005069) is 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)c2c([nH]c1=O)-c1ccccc1C2.
What is the InChIKey of 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is PONQOOMYUCUPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O/c20-13-7-5-11(6-8-13)17-15-9-12-3-1-2-4-14(12)18(15)22-19(23)16(17)10-21/h1-8H,9H2,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 318.76 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 13005069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).