4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline

C17H12BrN3 — CID 122457747

IUPAC4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline
SMILESBrc1cncc2ccc(Cn3ccc4ccncc43)cc12
InChIInChI=1S/C17H12BrN3/c18-16-9-20-8-14-2-1-12(7-15(14)16)11-21-6-4-13-3-5-19-10-17(13)21/h1-10H,11H2
InChIKeyAIUGUIXRRRECNF-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.40
Rot. Bonds2

About 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline

4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline (PubChem CID 122457747) has the molecular formula C17H12BrN3 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline.

Molecular Properties

Compound Name4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline
PubChem CID122457747
Molecular FormulaC17H12BrN3
Molecular Weight338.21 g/mol
Exact Mass337.02
IUPAC Name4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline
SMILESBrc1cncc2ccc(Cn3ccc4ccncc43)cc12
InChIInChI=1S/C17H12BrN3/c18-16-9-20-8-14-2-1-12(7-15(14)16)11-21-6-4-13-3-5-19-10-17(13)21/h1-10H,11H2
InChIKeyAIUGUIXRRRECNF-UHFFFAOYSA-N
XLogP4.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-(bromomethyl)isoquinoline;4-bromo-6-[(5-nitroindol-1-yl)methyl]isoquinoline;5-nitro-1H-indole
CID 159762475
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438
4-bromo-6-(dibromomethyl)isoquinoline
CID 122457627
3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-ol
CID 117223985
5-(pyrrolo[2,3-c]pyridin-1-ylmethyl)thiophene-3-carbonitrile
CID 129204364
N-[[1-(pyridin-4-ylmethyl)indol-6-yl]methyl]propan-1-amine
CID 102916765
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
6-pyrrolo[2,3-c]pyridin-1-ylhexan-1-amine
CID 139389752
7-(imidazol-1-ylmethyl)isoquinoline
CID 10750911

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline?
The IUPAC name of 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline (CID 122457747) is 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline.
What is the SMILES notation for 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline?
The canonical SMILES for 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline is Brc1cncc2ccc(Cn3ccc4ccncc43)cc12.
What is the InChIKey of 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline?
The InChIKey is AIUGUIXRRRECNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3/c18-16-9-20-8-14-2-1-12(7-15(14)16)11-21-6-4-13-3-5-19-10-17(13)21/h1-10H,11H2.
What are the key properties of 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline?
4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline has a molecular weight of 338.21 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(pyrrolo[2,3-c]pyridin-1-ylmethyl)isoquinoline is sourced from PubChem (CID 122457747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).