2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline

C16H12BrN3 — CID 174792976

IUPAC2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline
SMILESBrc1cc2cccnc2[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H5BrN2/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-5-2-1-3-9-7(5)10-6/h1-7H;1-4H,(H,9,10)
InChIKeyUXJMSHUVZAERMR-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.56
Rot. Bonds

About 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline

2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline (PubChem CID 174792976) has the molecular formula C16H12BrN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline.

Molecular Properties

Compound Name2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline
PubChem CID174792976
Molecular FormulaC16H12BrN3
Molecular Weight326.20 g/mol
Exact Mass325.02
IUPAC Name2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline
SMILESBrc1cc2cccnc2[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H5BrN2/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-5-2-1-3-9-7(5)10-6/h1-7H;1-4H,(H,9,10)
InChIKeyUXJMSHUVZAERMR-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1H-pyrrolo[2,3-b]pyridine;quinoline
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quinoline
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quinoline;silver
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osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
CID 159709187
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platinum(2+);quinoline
CID 50910245
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CID 155742214
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CID 174859636
CID 174859636

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline?
The IUPAC name of 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline (CID 174792976) is 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline.
What is the SMILES notation for 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline?
The canonical SMILES for 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline is Brc1cc2cccnc2[nH]1.c1ccc2ncccc2c1.
What is the InChIKey of 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline?
The InChIKey is UXJMSHUVZAERMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H5BrN2/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-5-2-1-3-9-7(5)10-6/h1-7H;1-4H,(H,9,10).
What are the key properties of 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline?
2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline has a molecular weight of 326.20 g/mol, XLogP of 4.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1H-pyrrolo[2,3-b]pyridine;quinoline is sourced from PubChem (CID 174792976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).