2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine

C9H12ClN3O3 — CID 62481867

IUPAC2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine
SMILESCOc1cc(/N=C(\N)NO)c(OC)cc1Cl
InChIInChI=1S/C9H12ClN3O3/c1-15-7-4-6(12-9(11)13-14)8(16-2)3-5(7)10/h3-4,14H,1-2H3,(H3,11,12,13)
InChIKeyKJEKGCQBSFZBHH-UHFFFAOYSA-N
MW245.67 g/mol
LogP1.28
Rot. Bonds3

About 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine

2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine (PubChem CID 62481867) has the molecular formula C9H12ClN3O3 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine
PubChem CID62481867
Molecular FormulaC9H12ClN3O3
Molecular Weight245.67 g/mol
Exact Mass245.06
IUPAC Name2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine
SMILESCOc1cc(/N=C(\N)NO)c(OC)cc1Cl
InChIInChI=1S/C9H12ClN3O3/c1-15-7-4-6(12-9(11)13-14)8(16-2)3-5(7)10/h3-4,14H,1-2H3,(H3,11,12,13)
InChIKeyKJEKGCQBSFZBHH-UHFFFAOYSA-N
XLogP1.28
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 51.28
H-Bond Donors ≤ 53
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-chloro-N'-(4-chloro-2,5-dimethoxyphenyl)ethanimidamide
CID 169369656
2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine
CID 62484149
2-chloro-N'-(2,5-dichloro-4-methoxyphenyl)ethanimidamide
CID 169369479
N'-(4-chloro-2-methoxy-5-methylphenyl)propanimidamide
CID 63174253
1-(4-chloro-2,5-dimethoxyphenyl)-2-ethylguanidine
CID 62381438
2,5-dichloro-4-methoxy-N-methylaniline
CID 82283226
5-chloro-4-methoxy-2-(methylamino)benzamide
CID 170992570
N'-(4-chloro-3-methoxyphenyl)ethanimidamide
CID 107623277
2-[N-(4-chloro-2,5-dimethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135438310
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
N-[amino-(hydroxyamino)methylidene]-3,4-dimethoxybenzenecarbohydrazonoyl chloride
CID 151218992

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine (CID 62481867) is 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine is COc1cc(/N=C(\N)NO)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine?
The InChIKey is KJEKGCQBSFZBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3/c1-15-7-4-6(12-9(11)13-14)8(16-2)3-5(7)10/h3-4,14H,1-2H3,(H3,11,12,13).
What are the key properties of 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine?
2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine has a molecular weight of 245.67 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyphenyl)-1-hydroxyguanidine is sourced from PubChem (CID 62481867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).