3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine

C8H7BrN2 — CID 45097257

IUPAC3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccnc2[nH]cc(Br)c12
InChIInChI=1S/C8H7BrN2/c1-5-2-3-10-8-7(5)6(9)4-11-8/h2-4H,1H3,(H,10,11)
InChIKeyUMVLQFYLNHUDOA-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.63
Rot. Bonds

About 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine

3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 45097257) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID45097257
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccnc2[nH]cc(Br)c12
InChIInChI=1S/C8H7BrN2/c1-5-2-3-10-8-7(5)6(9)4-11-8/h2-4H,1H3,(H,10,11)
InChIKeyUMVLQFYLNHUDOA-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine (CID 45097257) is 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1ccnc2[nH]cc(Br)c12.
What is the InChIKey of 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UMVLQFYLNHUDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-5-2-3-10-8-7(5)6(9)4-11-8/h2-4H,1H3,(H,10,11).
What are the key properties of 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine?
3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 211.06 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 45097257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).