2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine

C10H13BrN4O2 — CID 110538562

IUPAC2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(Br)cc(/C=N\N=C(N)N)c1OC
InChIInChI=1S/C10H13BrN4O2/c1-16-8-4-7(11)3-6(9(8)17-2)5-14-15-10(12)13/h3-5H,1-2H3,(H4,12,13,15)/b14-5-
InChIKeyRCLDGEWGHIXCOK-RZNTYIFUSA-N
MW301.14 g/mol
LogP1.07
Rot. Bonds4

About 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine

2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine (PubChem CID 110538562) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
PubChem CID110538562
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
SMILESCOc1cc(Br)cc(/C=N\N=C(N)N)c1OC
InChIInChI=1S/C10H13BrN4O2/c1-16-8-4-7(11)3-6(9(8)17-2)5-14-15-10(12)13/h3-5H,1-2H3,(H4,12,13,15)/b14-5-
InChIKeyRCLDGEWGHIXCOK-RZNTYIFUSA-N
XLogP1.07
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(2-bromo-3,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 91364850
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(5-bromo-3-iodo-2-propoxyphenyl)methylideneamino]guanidine
CID 168592012
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
2-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]guanidine
CID 168592761
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
2-[(2-hydroxy-3-methoxy-4,5-dimethylphenyl)methylideneamino]guanidine
CID 168590500
2-[(E)-(5-bromo-2,3,4-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173023877
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
CID 168592679
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(2-chloro-3,4,5-trimethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 142660061
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 76872439

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine (CID 110538562) is 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine is COc1cc(Br)cc(/C=N\N=C(N)N)c1OC.
What is the InChIKey of 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine?
The InChIKey is RCLDGEWGHIXCOK-RZNTYIFUSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-16-8-4-7(11)3-6(9(8)17-2)5-14-15-10(12)13/h3-5H,1-2H3,(H4,12,13,15)/b14-5-.
What are the key properties of 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine?
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine has a molecular weight of 301.14 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 110538562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).