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

C19H13BrN2 — CID 53342844

IUPAC4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
SMILESBrc1nccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C19H13BrN2/c20-19-17-15(11-12-21-19)22-18(14-9-5-2-6-10-14)16(17)13-7-3-1-4-8-13/h1-12,22H
InChIKeyPFLUSTJLFPZXOZ-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.66
Rot. Bonds2

About 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine

4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 53342844) has the molecular formula C19H13BrN2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID53342844
Molecular FormulaC19H13BrN2
Molecular Weight349.23 g/mol
Exact Mass348.03
IUPAC Name4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
SMILESBrc1nccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C19H13BrN2/c20-19-17-15(11-12-21-19)22-18(14-9-5-2-6-10-14)16(17)13-7-3-1-4-8-13/h1-12,22H
InChIKeyPFLUSTJLFPZXOZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-pyridinyl)-5-cyclopropyl-3-phenyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 162687131
4,5-diphenyl-3,7,10,12-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),12,14-heptaene
CID 144569350
6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
CID 45380817
3-bromo-2-pyridin-4-yl-1H-indole
CID 40564641
3,4-dibromo-1H-pyrrolo[3,2-c]pyridine
CID 24729436
7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
CID 53343031
2-chloro-3,4,5-triphenyl-1H-pyrrole
CID 174984725
3,4,5-triphenyl-1H-pyrrol-2-amine
CID 172835095
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 90644879
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
4-bromo-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 58380762
2-bromo-4-(4-phenylphenyl)pyridine
CID 138597174

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine (CID 53342844) is 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine is Brc1nccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is PFLUSTJLFPZXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2/c20-19-17-15(11-12-21-19)22-18(14-9-5-2-6-10-14)16(17)13-7-3-1-4-8-13/h1-12,22H.
What are the key properties of 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
4-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 4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53342844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).