5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine

C8H9BrN2 — CID 135392135

IUPAC5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESCN1CCc2nc(Br)ccc21
InChIInChI=1S/C8H9BrN2/c1-11-5-4-6-7(11)2-3-8(9)10-6/h2-3H,4-5H2,1H3
InChIKeyCBTXOOWPJJZHKJ-UHFFFAOYSA-N
MW213.08 g/mol
LogP1.84
Rot. Bonds

About 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine

5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine (PubChem CID 135392135) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine
PubChem CID135392135
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine
SMILESCN1CCc2nc(Br)ccc21
InChIInChI=1S/C8H9BrN2/c1-11-5-4-6-7(11)2-3-8(9)10-6/h2-3H,4-5H2,1H3
InChIKeyCBTXOOWPJJZHKJ-UHFFFAOYSA-N
XLogP1.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Bromo-2-methylpyridin-3-amine
CID 14418045
2,6-dibromo-N,N-dimethylpyridin-3-amine
CID 11834674
2-Bromo-6-methylpyridin-3-amine
CID 14418051
5-bromo-1H,2H,3H-pyrrolo(3,2-b)pyridine
CID 71819650
5-bromo-3,3-dimethyl-1H,2H,3H-pyrrolo[3,2-b]pyridine
CID 117854788
2-bromo-5-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine
CID 11402477
2-Bromo-6-(3,4-dihydro-2H-pyrrol-5-yl)pyridine
CID 118664228
1-(6-Bromopyridin-2-YL)-N-methylmethanamine
CID 18525943
3-Pyridinamine, 6-bromo-2-fluoro-N,N-dimethyl-
CID 86043610
6-Bromo-3-fluoro-2-piperidin-1-ylmethylpyridine
CID 87165592
2-Bromo-6-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 87165595
3-Bromo-6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methylpyridine
CID 132257098

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine (CID 135392135) is 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine is CN1CCc2nc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is CBTXOOWPJJZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-11-5-4-6-7(11)2-3-8(9)10-6/h2-3H,4-5H2,1H3.
What are the key properties of 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine?
5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 213.08 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 135392135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).