2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine

C8H8AsBrN4O3 — CID 89145528

IUPAC2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine
SMILESNC(N)=N/[As]=C/c1cc(Br)cc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8AsBrN4O3/c10-5-1-4(3-9-13-8(11)12)7(15)6(2-5)14(16)17/h1-3,15H,(H4,11,12,13)
InChIKeyIOIADJHEJYLFSN-UHFFFAOYSA-N
MW363.00 g/mol
LogP0.11
Rot. Bonds3

About 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine

2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine (PubChem CID 89145528) has the molecular formula C8H8AsBrN4O3 and a molecular weight of 363.00 g/mol. Its IUPAC name is 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine.

Molecular Properties

Compound Name2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine
PubChem CID89145528
Molecular FormulaC8H8AsBrN4O3
Molecular Weight363.00 g/mol
Exact Mass361.90
IUPAC Name2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine
SMILESNC(N)=N/[As]=C/c1cc(Br)cc([N+](=O)[O-])c1O
InChIInChI=1S/C8H8AsBrN4O3/c10-5-1-4(3-9-13-8(11)12)7(15)6(2-5)14(16)17/h1-3,15H,(H4,11,12,13)
InChIKeyIOIADJHEJYLFSN-UHFFFAOYSA-N
XLogP0.11
TPSA127.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.00
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 4300530
[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 135684219
1-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-nitroguanidine
CID 135921231
3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol
CID 3465048
4-bromo-2-nitro-6-[(Z)-1,2,4-triazol-4-yliminomethyl]phenol
CID 135562926
4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2,6-ditert-butylphenol
CID 135590064
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-hydroxybenzamide
CID 136863460
4-bromo-2-[(2,5-ditert-butylphenyl)iminomethyl]-6-nitrophenol
CID 136913238
2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoic acid
CID 3302132
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
4-bromo-2-[(1S)-1,2-diaminoethyl]-6-nitrophenol;hydrochloride
CID 171214744
4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2865741

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine?
The IUPAC name of 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine (CID 89145528) is 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine.
What is the SMILES notation for 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine?
The canonical SMILES for 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine is NC(N)=N/[As]=C/c1cc(Br)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine?
The InChIKey is IOIADJHEJYLFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8AsBrN4O3/c10-5-1-4(3-9-13-8(11)12)7(15)6(2-5)14(16)17/h1-3,15H,(H4,11,12,13).
What are the key properties of 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine?
2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine has a molecular weight of 363.00 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylidenearsanyl]guanidine is sourced from PubChem (CID 89145528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).