7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine

C19H13BrN2 — CID 53343031

IUPAC7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
SMILESBrc1cncc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C19H13BrN2/c20-16-12-21-11-15-17(13-7-3-1-4-8-13)18(22-19(15)16)14-9-5-2-6-10-14/h1-12,22H
InChIKeyUORKWBCGKMRXSI-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.66
Rot. Bonds2

About 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine

7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 53343031) has the molecular formula C19H13BrN2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID53343031
Molecular FormulaC19H13BrN2
Molecular Weight349.23 g/mol
Exact Mass348.03
IUPAC Name7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
SMILESBrc1cncc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C19H13BrN2/c20-16-12-21-11-15-17(13-7-3-1-4-8-13)18(22-19(15)16)14-9-5-2-6-10-14/h1-12,22H
InChIKeyUORKWBCGKMRXSI-UHFFFAOYSA-N
XLogP5.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine (CID 53343031) is 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine is Brc1cncc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12.
What is the InChIKey of 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is UORKWBCGKMRXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2/c20-16-12-21-11-15-17(13-7-3-1-4-8-13)18(22-19(15)16)14-9-5-2-6-10-14/h1-12,22H.
What are the key properties of 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 349.23 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53343031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).