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

C14H11BrN2 — CID 22477574

IUPAC5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c(-c2ccccc2)[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H11BrN2/c1-9-12-7-11(15)8-16-14(12)17-13(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)
InChIKeyFRWDASPBRXZPCF-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.30
Rot. Bonds1

About 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 22477574) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID22477574
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c(-c2ccccc2)[nH]c2ncc(Br)cc12
InChIInChI=1S/C14H11BrN2/c1-9-12-7-11(15)8-16-14(12)17-13(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17)
InChIKeyFRWDASPBRXZPCF-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 22477574) is 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine is Cc1c(-c2ccccc2)[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FRWDASPBRXZPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-9-12-7-11(15)8-16-14(12)17-13(9)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,17).
What are the key properties of 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 287.16 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 22477574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).