2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine

C8H10FN3O2 — CID 62484149

IUPAC2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine
SMILESCOc1cc(F)ccc1/N=C(\N)NO
InChIInChI=1S/C8H10FN3O2/c1-14-7-4-5(9)2-3-6(7)11-8(10)12-13/h2-4,13H,1H3,(H3,10,11,12)
InChIKeyVYBSFBOWQZJNEI-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.76
Rot. Bonds2

About 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine

2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine (PubChem CID 62484149) has the molecular formula C8H10FN3O2 and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine
PubChem CID62484149
Molecular FormulaC8H10FN3O2
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine
SMILESCOc1cc(F)ccc1/N=C(\N)NO
InChIInChI=1S/C8H10FN3O2/c1-14-7-4-5(9)2-3-6(7)11-8(10)12-13/h2-4,13H,1H3,(H3,10,11,12)
InChIKeyVYBSFBOWQZJNEI-UHFFFAOYSA-N
XLogP0.76
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.76
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

2-(5-fluoro-2-methoxyphenyl)guanidine
CID 82490728
(Z)-3-amino-2-cyano-N'-(4-fluoro-2-methoxyphenyl)prop-2-enimidamide
CID 176670129
1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine
CID 62381483
(Z)-N'-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxyprop-2-enimidamide
CID 135428230
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
CID 15034471
4-bromo-5-fluoro-1-N-(4-fluoro-2-methoxyphenyl)benzene-1,2-diamine
CID 66111706
2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine
CID 102855074
4-fluoro-1-methoxy-2-propoxybenzene
CID 126738516
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
2-(4-bromo-2-ethylphenyl)-1-hydroxyguanidine
CID 81286979
4-fluoro-2-methoxybenzenethiol
CID 22139691

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine?
The IUPAC name of 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine (CID 62484149) is 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine is COc1cc(F)ccc1/N=C(\N)NO.
What is the InChIKey of 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine?
The InChIKey is VYBSFBOWQZJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c1-14-7-4-5(9)2-3-6(7)11-8(10)12-13/h2-4,13H,1H3,(H3,10,11,12).
What are the key properties of 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine?
2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine has a molecular weight of 199.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyphenyl)-1-hydroxyguanidine is sourced from PubChem (CID 62484149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).