3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine

C23H16BrN3 — CID 153466468

IUPAC3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1Br
InChIInChI=1S/C23H16BrN3/c24-20-13-16(14-26-23(20)25)15-9-11-17(12-10-15)27-21-7-3-1-5-18(21)19-6-2-4-8-22(19)27/h1-14H,(H2,25,26)
InChIKeyTUEDMBVXJDJBIS-UHFFFAOYSA-N
MW414.31 g/mol
LogP6.19
Rot. Bonds2

About 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine

3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine (PubChem CID 153466468) has the molecular formula C23H16BrN3 and a molecular weight of 414.31 g/mol. Its IUPAC name is 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine
PubChem CID153466468
Molecular FormulaC23H16BrN3
Molecular Weight414.31 g/mol
Exact Mass413.05
IUPAC Name3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1Br
InChIInChI=1S/C23H16BrN3/c24-20-13-16(14-26-23(20)25)15-9-11-17(12-10-15)27-21-7-3-1-5-18(21)19-6-2-4-8-22(19)27/h1-14H,(H2,25,26)
InChIKeyTUEDMBVXJDJBIS-UHFFFAOYSA-N
XLogP6.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine (CID 153466468) is 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine is Nc1ncc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1Br.
What is the InChIKey of 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine?
The InChIKey is TUEDMBVXJDJBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3/c24-20-13-16(14-26-23(20)25)15-9-11-17(12-10-15)27-21-7-3-1-5-18(21)19-6-2-4-8-22(19)27/h1-14H,(H2,25,26).
What are the key properties of 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine?
3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine has a molecular weight of 414.31 g/mol, XLogP of 6.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-carbazol-9-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 153466468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).