3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H7BrN2 — CID 89143858

IUPAC3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESBrC1CNc2ncccc21
InChIInChI=1S/C7H7BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-3,6H,4H2,(H,9,10)
InChIKeyFBYCOZNFCAODCF-UHFFFAOYSA-N
MW199.05 g/mol
LogP1.94
Rot. Bonds

About 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89143858) has the molecular formula C7H7BrN2 and a molecular weight of 199.05 g/mol. Its IUPAC name is 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89143858
Molecular FormulaC7H7BrN2
Molecular Weight199.05 g/mol
Exact Mass197.98
IUPAC Name3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESBrC1CNc2ncccc21
InChIInChI=1S/C7H7BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-3,6H,4H2,(H,9,10)
InChIKeyFBYCOZNFCAODCF-UHFFFAOYSA-N
XLogP1.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 89197292
3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70673555
4-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 55288006
2,4,4a,5,6,10b-hexahydro-1H-pyrano[3,4-c][1,8]naphthyridine
CID 156787158
3-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70920057
5-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-3-amine
CID 71022963
3-[(2-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70842438
3-(azetidin-3-yl)-2-bromopyridine;dihydrochloride
CID 146082229
tert-butyl N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 178015225
N-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-phenylmethanesulfonamide
CID 70842495
3-[(2S)-aziridin-2-yl]-2-fluoropyridine
CID 55263159
3-methoxy-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
CID 106110896

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 89143858) is 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is BrC1CNc2ncccc21.
What is the InChIKey of 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FBYCOZNFCAODCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-3,6H,4H2,(H,9,10).
What are the key properties of 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 199.05 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89143858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).