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

C14H9BrClN3O — CID 106884994

IUPAC(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H9BrClN3O/c15-7-4-9-10(6-19-14(9)18-5-7)13(20)8-2-1-3-11(16)12(8)17/h1-6H,17H2,(H,18,19)
InChIKeyRILFAQWPDLQTQJ-UHFFFAOYSA-N
MW350.60 g/mol
LogP3.79
Rot. Bonds2

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

(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 106884994) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is (2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID106884994
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESNc1c(Cl)cccc1C(=O)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H9BrClN3O/c15-7-4-9-10(6-19-14(9)18-5-7)13(20)8-2-1-3-11(16)12(8)17/h1-6H,17H2,(H,18,19)
InChIKeyRILFAQWPDLQTQJ-UHFFFAOYSA-N
XLogP3.79
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884976
(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836
(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)-(4-chloro-2-fluorophenyl)methanone
CID 58086773
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dichlorophenyl)methanone
CID 58086013
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107874228
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 106884906
5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
(3-amino-2,6-difluorophenyl)-[5-bromo-1-(2,6-dichlorobenzoyl)pyrrolo[2,3-b]pyridin-3-yl]methanone;(3-amino-2,6-difluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 159549230
(2-amino-3-chlorophenyl)-(4-bromo-1H-indol-3-yl)methanone
CID 115549855
[5-(2-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone
CID 58086831
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[4-methyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanone
CID 143385143

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 106884994) is (2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Nc1c(Cl)cccc1C(=O)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of (2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is RILFAQWPDLQTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c15-7-4-9-10(6-19-14(9)18-5-7)13(20)8-2-1-3-11(16)12(8)17/h1-6H,17H2,(H,18,19).
What are the key properties of (2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 350.60 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chlorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 106884994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).