3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine

C13H10BrN3 — CID 59593271

IUPAC3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C13H10BrN3/c14-12-4-3-9(7-16-12)6-10-8-17-13-11(10)2-1-5-15-13/h1-5,7-8H,6H2,(H,15,17)
InChIKeyBVDRCTGOWORXQF-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.31
Rot. Bonds2

About 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine

3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59593271) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID59593271
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C13H10BrN3/c14-12-4-3-9(7-16-12)6-10-8-17-13-11(10)2-1-5-15-13/h1-5,7-8H,6H2,(H,15,17)
InChIKeyBVDRCTGOWORXQF-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 59593271) is 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine is Brc1ccc(Cc2c[nH]c3ncccc23)cn1.
What is the InChIKey of 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BVDRCTGOWORXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c14-12-4-3-9(7-16-12)6-10-8-17-13-11(10)2-1-5-15-13/h1-5,7-8H,6H2,(H,15,17).
What are the key properties of 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 288.15 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59593271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).