3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole

C17H13BrN2 — CID 150964549

IUPAC3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole
SMILESBrC1(c2ccc3[nH]c4ccccc4c3c2)C=CC=CN1
InChIInChI=1S/C17H13BrN2/c18-17(9-3-4-10-19-17)12-7-8-16-14(11-12)13-5-1-2-6-15(13)20-16/h1-11,19-20H
InChIKeyLMUNIBKPMIBWGQ-UHFFFAOYSA-N
MW325.21 g/mol
LogP4.54
Rot. Bonds1

About 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole

3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole (PubChem CID 150964549) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole
PubChem CID150964549
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC Name3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole
SMILESBrC1(c2ccc3[nH]c4ccccc4c3c2)C=CC=CN1
InChIInChI=1S/C17H13BrN2/c18-17(9-3-4-10-19-17)12-7-8-16-14(11-12)13-5-1-2-6-15(13)20-16/h1-11,19-20H
InChIKeyLMUNIBKPMIBWGQ-UHFFFAOYSA-N
XLogP4.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole?
The IUPAC name of 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole (CID 150964549) is 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole.
What is the SMILES notation for 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole?
The canonical SMILES for 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole is BrC1(c2ccc3[nH]c4ccccc4c3c2)C=CC=CN1.
What is the InChIKey of 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole?
The InChIKey is LMUNIBKPMIBWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2/c18-17(9-3-4-10-19-17)12-7-8-16-14(11-12)13-5-1-2-6-15(13)20-16/h1-11,19-20H.
What are the key properties of 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole?
3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole has a molecular weight of 325.21 g/mol, XLogP of 4.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1H-pyridin-2-yl)-9H-carbazole is sourced from PubChem (CID 150964549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).