5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole

C19H15BrN2 — CID 172734559

IUPAC5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole
SMILESCc1ncc(-c2cccc3c2C2=CC=CC(C)C2=N3)cc1Br
InChIInChI=1S/C19H15BrN2/c1-11-5-3-7-15-18-14(6-4-8-17(18)22-19(11)15)13-9-16(20)12(2)21-10-13/h3-11H,1-2H3
InChIKeyIGERXEMSOYEUGB-UHFFFAOYSA-N
MW351.25 g/mol
LogP5.49
Rot. Bonds1

About 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole

5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole (PubChem CID 172734559) has the molecular formula C19H15BrN2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole.

Molecular Properties

Compound Name5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole
PubChem CID172734559
Molecular FormulaC19H15BrN2
Molecular Weight351.25 g/mol
Exact Mass350.04
IUPAC Name5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole
SMILESCc1ncc(-c2cccc3c2C2=CC=CC(C)C2=N3)cc1Br
InChIInChI=1S/C19H15BrN2/c1-11-5-3-7-15-18-14(6-4-8-17(18)22-19(11)15)13-9-16(20)12(2)21-10-13/h3-11H,1-2H3
InChIKeyIGERXEMSOYEUGB-UHFFFAOYSA-N
XLogP5.49
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.25
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole?
The IUPAC name of 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole (CID 172734559) is 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole.
What is the SMILES notation for 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole?
The canonical SMILES for 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole is Cc1ncc(-c2cccc3c2C2=CC=CC(C)C2=N3)cc1Br.
What is the InChIKey of 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole?
The InChIKey is IGERXEMSOYEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2/c1-11-5-3-7-15-18-14(6-4-8-17(18)22-19(11)15)13-9-16(20)12(2)21-10-13/h3-11H,1-2H3.
What are the key properties of 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole?
5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole has a molecular weight of 351.25 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-6-methyl-3-pyridinyl)-1-methyl-1H-carbazole is sourced from PubChem (CID 172734559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).