4-bromo-9H-pyrido[2,3-b]indole

C11H7BrN2 — CID 90389488

IUPAC4-bromo-9H-pyrido[2,3-b]indole
SMILESBrc1ccnc2[nH]c3ccccc3c12
InChIInChI=1S/C11H7BrN2/c12-8-5-6-13-11-10(8)7-3-1-2-4-9(7)14-11/h1-6H,(H,13,14)
InChIKeyNRMHQRWERFBOMQ-UHFFFAOYSA-N
MW247.10 g/mol
LogP3.48
Rot. Bonds

About 4-bromo-9H-pyrido[2,3-b]indole

4-bromo-9H-pyrido[2,3-b]indole (PubChem CID 90389488) has the molecular formula C11H7BrN2 and a molecular weight of 247.10 g/mol. Its IUPAC name is 4-bromo-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name4-bromo-9H-pyrido[2,3-b]indole
PubChem CID90389488
Molecular FormulaC11H7BrN2
Molecular Weight247.10 g/mol
Exact Mass245.98
IUPAC Name4-bromo-9H-pyrido[2,3-b]indole
SMILESBrc1ccnc2[nH]c3ccccc3c12
InChIInChI=1S/C11H7BrN2/c12-8-5-6-13-11-10(8)7-3-1-2-4-9(7)14-11/h1-6H,(H,13,14)
InChIKeyNRMHQRWERFBOMQ-UHFFFAOYSA-N
XLogP3.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-9H-pyrido[2,3-b]indole?
The IUPAC name of 4-bromo-9H-pyrido[2,3-b]indole (CID 90389488) is 4-bromo-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 4-bromo-9H-pyrido[2,3-b]indole?
The canonical SMILES for 4-bromo-9H-pyrido[2,3-b]indole is Brc1ccnc2[nH]c3ccccc3c12.
What is the InChIKey of 4-bromo-9H-pyrido[2,3-b]indole?
The InChIKey is NRMHQRWERFBOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2/c12-8-5-6-13-11-10(8)7-3-1-2-4-9(7)14-11/h1-6H,(H,13,14).
What are the key properties of 4-bromo-9H-pyrido[2,3-b]indole?
4-bromo-9H-pyrido[2,3-b]indole has a molecular weight of 247.10 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 90389488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).