2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one

C14H11BrN2O — CID 58016320

IUPAC2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one
SMILESCc1ccc(-n2c(=O)ccc3cc(Br)[nH]c32)cc1
InChIInChI=1S/C14H11BrN2O/c1-9-2-5-11(6-3-9)17-13(18)7-4-10-8-12(15)16-14(10)17/h2-8,16H,1H3
InChIKeyZSLBKFKAHAUXPC-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.39
Rot. Bonds1

About 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one

2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one (PubChem CID 58016320) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one
PubChem CID58016320
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one
SMILESCc1ccc(-n2c(=O)ccc3cc(Br)[nH]c32)cc1
InChIInChI=1S/C14H11BrN2O/c1-9-2-5-11(6-3-9)17-13(18)7-4-10-8-12(15)16-14(10)17/h2-8,16H,1H3
InChIKeyZSLBKFKAHAUXPC-UHFFFAOYSA-N
XLogP3.39
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-7-(4-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 58016455
1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 584033
6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 718439
3-(4-methylphenyl)-2-sulfanylidene-1,3-oxazepine-4,7-dione
CID 139225873
1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one
CID 118148099
7-(4-chlorophenyl)-2-[[(3,6-dimethylcyclohex-2-en-1-ylidene)amino]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridin-6-one
CID 91590188
6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 22949757
6-fluoro-3-(4-methylphenyl)-1H-benzimidazol-2-one
CID 110491205
3-(4-methylphenyl)-6-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-6-yl]-2-sulfanylidene-1H-quinazolin-4-one
CID 15133897
6,12-dimethyl-2-(4-methylphenyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),3,8-triene-5,7,11,13-tetrone
CID 15011134
5-(4-methylanilino)-3-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 11404740
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione
CID 6941412

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one (CID 58016320) is 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one is Cc1ccc(-n2c(=O)ccc3cc(Br)[nH]c32)cc1.
What is the InChIKey of 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one?
The InChIKey is ZSLBKFKAHAUXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-9-2-5-11(6-3-9)17-13(18)7-4-10-8-12(15)16-14(10)17/h2-8,16H,1H3.
What are the key properties of 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one?
2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one has a molecular weight of 303.16 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 58016320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).