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

C13H8BrFN2 — CID 68780863

IUPAC3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
SMILESFc1ccccc1-c1[nH]c2cnccc2c1Br
InChIInChI=1S/C13H8BrFN2/c14-12-9-5-6-16-7-11(9)17-13(12)8-3-1-2-4-10(8)15/h1-7,17H
InChIKeySPYJBVMDGKLWDR-UHFFFAOYSA-N
MW291.12 g/mol
LogP4.13
Rot. Bonds1

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

3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 68780863) has the molecular formula C13H8BrFN2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID68780863
Molecular FormulaC13H8BrFN2
Molecular Weight291.12 g/mol
Exact Mass289.99
IUPAC Name3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
SMILESFc1ccccc1-c1[nH]c2cnccc2c1Br
InChIInChI=1S/C13H8BrFN2/c14-12-9-5-6-16-7-11(9)17-13(12)8-3-1-2-4-10(8)15/h1-7,17H
InChIKeySPYJBVMDGKLWDR-UHFFFAOYSA-N
XLogP4.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine (CID 68780863) is 3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine is Fc1ccccc1-c1[nH]c2cnccc2c1Br.
What is the InChIKey of 3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is SPYJBVMDGKLWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2/c14-12-9-5-6-16-7-11(9)17-13(12)8-3-1-2-4-10(8)15/h1-7,17H.
What are the key properties of 3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 291.12 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 68780863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).