(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C15H11Br2N3O — CID 107874228

IUPAC(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C15H11Br2N3O/c1-7-10(2-8(16)4-13(7)18)14(21)12-6-20-15-11(12)3-9(17)5-19-15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyLELWFORHFLFJJF-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.21
Rot. Bonds2

About (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 107874228) has the molecular formula C15H11Br2N3O and a molecular weight of 409.08 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID107874228
Molecular FormulaC15H11Br2N3O
Molecular Weight409.08 g/mol
Exact Mass406.93
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C15H11Br2N3O/c1-7-10(2-8(16)4-13(7)18)14(21)12-6-20-15-11(12)3-9(17)5-19-15/h2-6H,18H2,1H3,(H,19,20)
InChIKeyLELWFORHFLFJJF-UHFFFAOYSA-N
XLogP4.21
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone with MolForge

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Related Compounds

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanone
CID 143385143
(4-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884976
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dichlorophenyl)methanone
CID 58086013
(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884994
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
(3-amino-5-bromo-2-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107874166
(3-amino-5-bromo-2-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107874151
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[4-methyl-5-[(Z)-prop-1-enyl]-1-sulfanylpyrrol-3-yl]methanone;ethane
CID 143384894
(3-amino-2-ethyl-6-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 162741571
(3-amino-6-chloro-2-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68751735
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 106884906

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 107874228) is (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Cc1c(N)cc(Br)cc1C(=O)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is LELWFORHFLFJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2N3O/c1-7-10(2-8(16)4-13(7)18)14(21)12-6-20-15-11(12)3-9(17)5-19-15/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 409.08 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 107874228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).