N-(5-bromoquinoxalin-6-yl)formamide

C9H6BrN3O — CID 130538213

IUPACN-(5-bromoquinoxalin-6-yl)formamide
SMILESO=CNc1ccc2nccnc2c1Br
InChIInChI=1S/C9H6BrN3O/c10-8-6(13-5-14)1-2-7-9(8)12-4-3-11-7/h1-5H,(H,13,14)
InChIKeyXKJVMXWJZHESPV-UHFFFAOYSA-N
MW252.07 g/mol
LogP1.96
Rot. Bonds2

About N-(5-bromoquinoxalin-6-yl)formamide

N-(5-bromoquinoxalin-6-yl)formamide (PubChem CID 130538213) has the molecular formula C9H6BrN3O and a molecular weight of 252.07 g/mol. Its IUPAC name is N-(5-bromoquinoxalin-6-yl)formamide.

Molecular Properties

Compound NameN-(5-bromoquinoxalin-6-yl)formamide
PubChem CID130538213
Molecular FormulaC9H6BrN3O
Molecular Weight252.07 g/mol
Exact Mass250.97
IUPAC NameN-(5-bromoquinoxalin-6-yl)formamide
SMILESO=CNc1ccc2nccnc2c1Br
InChIInChI=1S/C9H6BrN3O/c10-8-6(13-5-14)1-2-7-9(8)12-4-3-11-7/h1-5H,(H,13,14)
InChIKeyXKJVMXWJZHESPV-UHFFFAOYSA-N
XLogP1.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(5-bromoquinoxalin-6-yl)cyanamide
CID 23223848
N-benzyl-5-bromoquinoxalin-6-amine
CID 130538129
methyl 2-[(5-bromoquinoxalin-6-yl)amino]propanoate
CID 112752675
5-bromo-N-(1H-pyrrol-2-yl)quinoxalin-6-amine
CID 59164147
5-bromo-N-(2,3-dihydro-1H-pyrrol-5-yl)quinoxalin-6-amine
CID 143031544
N-(5-methoxyquinolin-8-yl)formamide
CID 886460
1-(2-aminoethyl)-3-(5-bromoquinoxalin-6-yl)thiourea
CID 15020843
tris(pyrazino[2,3-f]quinoxaline);ruthenium
CID 57355129
1-(2-aminoethyl)-3-(5-bromoquinoxalin-6-yl)urea;2,2,2-trifluoroacetic acid
CID 71748903
N-(2-bromo-3-chlorophenyl)formamide
CID 103480075
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;nonanedioic acid
CID 56832504
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2S,3S)-2,3-dihydroxybutanedioate;hydron
CID 25137926

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinoxalin-6-yl)formamide?
The IUPAC name of N-(5-bromoquinoxalin-6-yl)formamide (CID 130538213) is N-(5-bromoquinoxalin-6-yl)formamide.
What is the SMILES notation for N-(5-bromoquinoxalin-6-yl)formamide?
The canonical SMILES for N-(5-bromoquinoxalin-6-yl)formamide is O=CNc1ccc2nccnc2c1Br.
What is the InChIKey of N-(5-bromoquinoxalin-6-yl)formamide?
The InChIKey is XKJVMXWJZHESPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O/c10-8-6(13-5-14)1-2-7-9(8)12-4-3-11-7/h1-5H,(H,13,14).
What are the key properties of N-(5-bromoquinoxalin-6-yl)formamide?
N-(5-bromoquinoxalin-6-yl)formamide has a molecular weight of 252.07 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinoxalin-6-yl)formamide is sourced from PubChem (CID 130538213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).