2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C15H15BrN2O — CID 106884827

IUPAC2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ncc(Br)cc12)C1CC2CCC1C2
InChIInChI=1S/C15H15BrN2O/c16-10-5-12-13(7-18-15(12)17-6-10)14(19)11-4-8-1-2-9(11)3-8/h5-9,11H,1-4H2,(H,17,18)
InChIKeyJMUKMKGGYPGYCH-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.94
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 106884827) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID106884827
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ncc(Br)cc12)C1CC2CCC1C2
InChIInChI=1S/C15H15BrN2O/c16-10-5-12-13(7-18-15(12)17-6-10)14(19)11-4-8-1-2-9(11)3-8/h5-9,11H,1-4H2,(H,17,18)
InChIKeyJMUKMKGGYPGYCH-UHFFFAOYSA-N
XLogP3.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 106884827) is 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1c[nH]c2ncc(Br)cc12)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is JMUKMKGGYPGYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-10-5-12-13(7-18-15(12)17-6-10)14(19)11-4-8-1-2-9(11)3-8/h5-9,11H,1-4H2,(H,17,18).
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 319.20 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 106884827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).