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

C20H13BrN2O — CID 3554989

IUPAC4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCC1=C(C#N)C(c2cccc(Br)c2)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C20H13BrN2O/c1-11-16(10-22)17(12-5-4-6-13(21)9-12)18-19(23-11)14-7-2-3-8-15(14)20(18)24/h2-9,17,23H,1H3
InChIKeyVOGKFBWYUAVSCC-UHFFFAOYSA-N
MW377.24 g/mol
LogP4.54
Rot. Bonds1

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

4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 3554989) has the molecular formula C20H13BrN2O and a molecular weight of 377.24 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID3554989
Molecular FormulaC20H13BrN2O
Molecular Weight377.24 g/mol
Exact Mass376.02
IUPAC Name4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCC1=C(C#N)C(c2cccc(Br)c2)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C20H13BrN2O/c1-11-16(10-22)17(12-5-4-6-13(21)9-12)18-19(23-11)14-7-2-3-8-15(14)20(18)24/h2-9,17,23H,1H3
InChIKeyVOGKFBWYUAVSCC-UHFFFAOYSA-N
XLogP4.54
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_keto_A(9)', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-2-methyl-5,6-dioxo-1,4-dihydrobenzo[h]quinoline-3-carbonitrile
CID 122214245
(4S)-2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 32641017
(4S)-2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 946895
4-(3-bromophenyl)-2-sulfanylidene-3,4-dihydro-1H-indeno[1,2-d]pyrimidin-5-one
CID 44540237
2-amino-5-oxo-4-phenyl-4H-indeno[1,2-b]pyran-3-carbonitrile
CID 5062571
ethyl (4R)-4-(3-fluorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 1044286
3-acetyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydroindeno[1,2-b]pyridin-5-one
CID 3628896
3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide
CID 69041293
(4S,7S)-4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 1098875
2-(3-bromophenyl)-6-methyl-5,9-dioxatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),6,11,13,15-hexaene-4,17-dione
CID 122374845
4-(3-bromophenyl)-5-cyano-N-ethyl-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxamide
CID 10270050
methyl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 2890786

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (CID 3554989) is 4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is CC1=C(C#N)C(c2cccc(Br)c2)C2=C(N1)c1ccccc1C2=O.
What is the InChIKey of 4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is VOGKFBWYUAVSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O/c1-11-16(10-22)17(12-5-4-6-13(21)9-12)18-19(23-11)14-7-2-3-8-15(14)20(18)24/h2-9,17,23H,1H3.
What are the key properties of 4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 377.24 g/mol, XLogP of 4.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 3554989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).