3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide

C12H7BrClN3O — CID 88616795

IUPAC3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1c(Br)nc(Cl)c2c1[nH]c1ccccc12
InChIInChI=1S/C12H7BrClN3O/c13-10-8(12(15)18)9-7(11(14)17-10)5-3-1-2-4-6(5)16-9/h1-4,16H,(H2,15,18)
InChIKeyYWZQXQLMJWXXRI-UHFFFAOYSA-N
MW324.57 g/mol
LogP3.23
Rot. Bonds1

About 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide

3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide (PubChem CID 88616795) has the molecular formula C12H7BrClN3O and a molecular weight of 324.57 g/mol. Its IUPAC name is 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide
PubChem CID88616795
Molecular FormulaC12H7BrClN3O
Molecular Weight324.57 g/mol
Exact Mass322.95
IUPAC Name3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1c(Br)nc(Cl)c2c1[nH]c1ccccc12
InChIInChI=1S/C12H7BrClN3O/c13-10-8(12(15)18)9-7(11(14)17-10)5-3-1-2-4-6(5)16-9/h1-4,16H,(H2,15,18)
InChIKeyYWZQXQLMJWXXRI-UHFFFAOYSA-N
XLogP3.23
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.57
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-11H-benzo[a]carbazole-1-carboxamide
CID 66614517
5H-pyridazino[4,5-b]indole-1,4-dicarboxylic acid
CID 91128673
1-chloro-9H-carbazole-3,4-dicarboxylic acid
CID 67894705
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
4-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-9H-carbazole-1-carboxamide
CID 130362469
1,2,3,4-tetrabromo-9H-carbazole
CID 70631482
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
2-quinolin-8-yl-9H-carbazole-1-carboxamide
CID 66606497
(3-carbamoyl-1H-indol-2-yl)-trimethylazanium
CID 174471865
2-(2-chloro-1H-indol-3-yl)acetamide
CID 21191872
4-carbamoyl-1-chloro-5H-pyrido[4,3-b]indole-8-carboxylic acid
CID 134520741
2-chloro-9H-carbazole-1-carboxylic acid
CID 174862025

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide (CID 88616795) is 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1c(Br)nc(Cl)c2c1[nH]c1ccccc12.
What is the InChIKey of 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is YWZQXQLMJWXXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3O/c13-10-8(12(15)18)9-7(11(14)17-10)5-3-1-2-4-6(5)16-9/h1-4,16H,(H2,15,18).
What are the key properties of 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide?
3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 324.57 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-chloro-5H-pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 88616795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).