4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one

C19H13BrN2O3 — CID 4657180

IUPAC4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC1=C([N+](=O)[O-])C(c2cccc(Br)c2)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C19H13BrN2O3/c1-10-18(22(24)25)15(11-5-4-6-12(20)9-11)16-17(21-10)13-7-2-3-8-14(13)19(16)23/h2-9,15,21H,1H3
InChIKeyQGOBYUCOZONOPI-UHFFFAOYSA-N
MW397.23 g/mol
LogP4.25
Rot. Bonds2

About 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one

4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one (PubChem CID 4657180) has the molecular formula C19H13BrN2O3 and a molecular weight of 397.23 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one
PubChem CID4657180
Molecular FormulaC19H13BrN2O3
Molecular Weight397.23 g/mol
Exact Mass396.01
IUPAC Name4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC1=C([N+](=O)[O-])C(c2cccc(Br)c2)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C19H13BrN2O3/c1-10-18(22(24)25)15(11-5-4-6-12(20)9-11)16-17(21-10)13-7-2-3-8-14(13)19(16)23/h2-9,15,21H,1H3
InChIKeyQGOBYUCOZONOPI-UHFFFAOYSA-N
XLogP4.25
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-2-methyl-4-phenyl-1,4-dihydro-5H-indeno[1,2-b]pyridin-5-one
CID 3554733
10-(4-bromophenyl)-7,7-dimethyl-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 3894686
7,7-Dimethyl-10-(3-bromophenyl)-7,8-dihydro-5h-indeno[1,2-b]quinoline-9,11(6h,10h)-dione
CID 5015761
8-(4-Bromophenyl)-7-nitro-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaen-10-one
CID 139231757
(4-Bromophenyl)[2-methyl-5-nitro-4,6-diphenyl-1,4-dihydropyridin-3-yl]methanone
CID 151446350
4-(2-fluorophenyl)-3-nitro-2-methyl-1,4-dihydro-5H-indeno[1,2-b]pyridin-5-one
CID 11837604
(4S)-4-(2-fluorophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one
CID 93532210
(4R)-4-(2-fluorophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one
CID 93532211
10-(4-bromophenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 3501968
4-(3-Bromophenyl)-2-methyl-3-nitro-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 78464316
10-(2-bromophenyl)-7,7-dimethyl-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 3696809
3-(4-bromophenyl)-7-methyl-4-nitro-2H-isoquinolin-1-one
CID 89504715

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The IUPAC name of 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one (CID 4657180) is 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one is CC1=C([N+](=O)[O-])C(c2cccc(Br)c2)C2=C(N1)c1ccccc1C2=O.
What is the InChIKey of 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The InChIKey is QGOBYUCOZONOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O3/c1-10-18(22(24)25)15(11-5-4-6-12(20)9-11)16-17(21-10)13-7-2-3-8-14(13)19(16)23/h2-9,15,21H,1H3.
What are the key properties of 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one?
4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one has a molecular weight of 397.23 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-methyl-3-nitro-1,4-dihydroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 4657180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).