4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine

C13H8BrFN2 — CID 67196157

IUPAC4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine
SMILESFc1ccc(-n2ccc3c(Br)cncc32)cc1
InChIInChI=1S/C13H8BrFN2/c14-12-7-16-8-13-11(12)5-6-17(13)10-3-1-9(15)2-4-10/h1-8H
InChIKeyLQBHFAOAPIXJKI-UHFFFAOYSA-N
MW291.12 g/mol
LogP3.93
Rot. Bonds1

About 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine

4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine (PubChem CID 67196157) has the molecular formula C13H8BrFN2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine
PubChem CID67196157
Molecular FormulaC13H8BrFN2
Molecular Weight291.12 g/mol
Exact Mass289.99
IUPAC Name4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine
SMILESFc1ccc(-n2ccc3c(Br)cncc32)cc1
InChIInChI=1S/C13H8BrFN2/c14-12-7-16-8-13-11(12)5-6-17(13)10-3-1-9(15)2-4-10/h1-8H
InChIKeyLQBHFAOAPIXJKI-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine (CID 67196157) is 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine is Fc1ccc(-n2ccc3c(Br)cncc32)cc1.
What is the InChIKey of 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is LQBHFAOAPIXJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2/c14-12-7-16-8-13-11(12)5-6-17(13)10-3-1-9(15)2-4-10/h1-8H.
What are the key properties of 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine?
4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 291.12 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-fluorophenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67196157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).