1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol

C21H18Br2N2O — CID 58097202

IUPAC1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol
SMILESOC(CCc1ccccn1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H18Br2N2O/c22-14-4-8-20-18(11-14)19-12-15(23)5-9-21(19)25(20)13-17(26)7-6-16-3-1-2-10-24-16/h1-5,8-12,17,26H,6-7,13H2
InChIKeyHPPRGUKBKDGBDT-UHFFFAOYSA-N
MW474.20 g/mol
LogP5.71
Rot. Bonds5

About 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol

1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol (PubChem CID 58097202) has the molecular formula C21H18Br2N2O and a molecular weight of 474.20 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol
PubChem CID58097202
Molecular FormulaC21H18Br2N2O
Molecular Weight474.20 g/mol
Exact Mass471.98
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol
SMILESOC(CCc1ccccn1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C21H18Br2N2O/c22-14-4-8-20-18(11-14)19-12-15(23)5-9-21(19)25(20)13-17(26)7-6-16-3-1-2-10-24-16/h1-5,8-12,17,26H,6-7,13H2
InChIKeyHPPRGUKBKDGBDT-UHFFFAOYSA-N
XLogP5.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.20
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol (CID 58097202) is 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol is OC(CCc1ccccn1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol?
The InChIKey is HPPRGUKBKDGBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N2O/c22-14-4-8-20-18(11-14)19-12-15(23)5-9-21(19)25(20)13-17(26)7-6-16-3-1-2-10-24-16/h1-5,8-12,17,26H,6-7,13H2.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol has a molecular weight of 474.20 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-4-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 58097202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).