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

C15H11BrN2O2 — CID 11198318

IUPAC(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1
InChIInChI=1S/C15H11BrN2O2/c1-20-11-4-2-3-9(5-11)14(19)13-8-18-15-12(13)6-10(16)7-17-15/h2-8H,1H3,(H,17,18)
InChIKeyOKQFAXUYZWQTBT-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.57
Rot. Bonds3

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

(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone (PubChem CID 11198318) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone
PubChem CID11198318
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1
InChIInChI=1S/C15H11BrN2O2/c1-20-11-4-2-3-9(5-11)14(19)13-8-18-15-12(13)6-10(16)7-17-15/h2-8H,1H3,(H,17,18)
InChIKeyOKQFAXUYZWQTBT-UHFFFAOYSA-N
XLogP3.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone (CID 11198318) is (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1.
What is the InChIKey of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone?
The InChIKey is OKQFAXUYZWQTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-20-11-4-2-3-9(5-11)14(19)13-8-18-15-12(13)6-10(16)7-17-15/h2-8H,1H3,(H,17,18).
What are the key properties of (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone?
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone has a molecular weight of 331.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 11198318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).