2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine

C8H9BrN4O — CID 72952246

IUPAC2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=NN=Cc1ccc(Br)cc1)NO
InChIInChI=1S/C8H9BrN4O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13-14/h1-5,14H,(H3,10,12,13)
InChIKeyWGXPIQGPYVYVIP-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.08
Rot. Bonds2

About 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine

2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 72952246) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID72952246
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=NN=Cc1ccc(Br)cc1)NO
InChIInChI=1S/C8H9BrN4O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13-14/h1-5,14H,(H3,10,12,13)
InChIKeyWGXPIQGPYVYVIP-UHFFFAOYSA-N
XLogP1.08
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine
CID 6778167
2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023950
1-hydroxy-2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 171927858
2-[(E)-(4-bromo-3-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023981
2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173024102
2-[(E)-(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 139982870
2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 91185838
2-[(E)-(4-bromophenyl)methylideneamino]-1-[(E)-(4-cyanophenyl)methylideneamino]guanidine;hydrobromide
CID 21497963
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine
CID 91318169
2-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 135435056
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 10060509

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine (CID 72952246) is 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine is NC(=NN=Cc1ccc(Br)cc1)NO.
What is the InChIKey of 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is WGXPIQGPYVYVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c9-7-3-1-6(2-4-7)5-11-12-8(10)13-14/h1-5,14H,(H3,10,12,13).
What are the key properties of 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine?
2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 257.09 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 72952246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).