5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine

C9H9BrN2O — CID 119087157

IUPAC5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
SMILESCOCn1ccc2cc(Br)cnc21
InChIInChI=1S/C9H9BrN2O/c1-13-6-12-3-2-7-4-8(10)5-11-9(7)12/h2-5H,6H2,1H3
InChIKeyNKARMUTWUINJGZ-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.40
Rot. Bonds2

About 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine

5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine (PubChem CID 119087157) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
PubChem CID119087157
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine
SMILESCOCn1ccc2cc(Br)cnc21
InChIInChI=1S/C9H9BrN2O/c1-13-6-12-3-2-7-4-8(10)5-11-9(7)12/h2-5H,6H2,1H3
InChIKeyNKARMUTWUINJGZ-UHFFFAOYSA-N
XLogP2.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
6-Bromo-8-methylimidazo(1,2-a)pyridine
CID 5260647
2-(4-Bromophenyl)-7-methylimidazo[1,2-a]pyridine
CID 717644
2-(4-Bromophenyl)-3-methylimidazo[1,2-a]pyridine
CID 852495
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
3-Bromo-1H-pyrrolo[2,3-b]pyridine
CID 5523659
4-Bromo-1H-pyrrolo[2,3-b]pyridine
CID 22273643
6-Bromo-7-azaindole
CID 11159915
[4-(6-Bromo-imidazo[1,2-a]pyridin-2-yl)-phenyl]-dimethyl-amine
CID 9839907
1-(2-Bromo-4-isopropylphenyl)-4,6-dimethyl-7-azaindole
CID 10497535
1-(2-Bromo-4-isopropylphenyl)-6-methyl-7-azaindole
CID 10782556

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine (CID 119087157) is 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine is COCn1ccc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is NKARMUTWUINJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-13-6-12-3-2-7-4-8(10)5-11-9(7)12/h2-5H,6H2,1H3.
What are the key properties of 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine?
5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 241.09 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(methoxymethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 119087157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).