5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile

C9H6BrN3 — CID 146313850

IUPAC5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESCn1ccc2cc(Br)c(C#N)nc21
InChIInChI=1S/C9H6BrN3/c1-13-3-2-6-4-7(10)8(5-11)12-9(6)13/h2-4H,1H3
InChIKeyAXRFOEOBGQYAQG-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.21
Rot. Bonds

About 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile

5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile (PubChem CID 146313850) has the molecular formula C9H6BrN3 and a molecular weight of 236.07 g/mol. Its IUPAC name is 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile
PubChem CID146313850
Molecular FormulaC9H6BrN3
Molecular Weight236.07 g/mol
Exact Mass234.97
IUPAC Name5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile
SMILESCn1ccc2cc(Br)c(C#N)nc21
InChIInChI=1S/C9H6BrN3/c1-13-3-2-6-4-7(10)8(5-11)12-9(6)13/h2-4H,1H3
InChIKeyAXRFOEOBGQYAQG-UHFFFAOYSA-N
XLogP2.21
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-chloro-5-methylpyridine-2-carbonitrile
CID 86652350
5-bromo-6-isocyano-1-methylpyrrolo[2,3-b]pyridine;5-bromo-6-isocyano-1H-pyrrolo[2,3-b]pyridine
CID 162100298
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108569
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
5-ethynyl-1-methylpyrrolo[2,3-b]pyridine
CID 130121023
3-bromo-6-ethylpyridine-2-carbonitrile
CID 151363520
5-iodo-1-methylpyrrolo[2,3-b]pyridine
CID 140675954
6-amino-3-bromopyridine-2-carbonitrile
CID 53402956
3-bromo-6-fluoropyridine-2-carbonitrile
CID 84669802
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
5-fluoro-1-methylindole-7-carbonitrile
CID 146382896

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile?
The IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile (CID 146313850) is 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile is Cn1ccc2cc(Br)c(C#N)nc21.
What is the InChIKey of 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile?
The InChIKey is AXRFOEOBGQYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3/c1-13-3-2-6-4-7(10)8(5-11)12-9(6)13/h2-4H,1H3.
What are the key properties of 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile?
5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile has a molecular weight of 236.07 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylpyrrolo[2,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 146313850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).