2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine

C8H9FN4O — CID 168592804

IUPAC2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(F)ccc1O
InChIInChI=1S/C8H9FN4O/c9-6-1-2-7(14)5(3-6)4-12-13-8(10)11/h1-4,14H,(H4,10,11,13)
InChIKeyZEELNZIVCHHTMN-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.14
Rot. Bonds2

About 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine

2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 168592804) has the molecular formula C8H9FN4O and a molecular weight of 196.19 g/mol. Its IUPAC name is 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
PubChem CID168592804
Molecular FormulaC8H9FN4O
Molecular Weight196.19 g/mol
Exact Mass196.08
IUPAC Name2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(F)ccc1O
InChIInChI=1S/C8H9FN4O/c9-6-1-2-7(14)5(3-6)4-12-13-8(10)11/h1-4,14H,(H4,10,11,13)
InChIKeyZEELNZIVCHHTMN-UHFFFAOYSA-N
XLogP0.14
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(4-fluoro-2-iodophenyl)methylideneamino]guanidine
CID 168591000
2-[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]guanidine
CID 168591297
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine
CID 168592471
2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine
CID 168591129
1-[(5-fluoro-2-hydroxyphenyl)methylideneamino]-3-methylthiourea
CID 167713511
2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine
CID 168591166
2-[(4-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168591189
2-[[2-hydroxy-4-(trifluoromethoxy)phenyl]methylideneamino]guanidine
CID 168591591
2-[[2-[(2,4-difluorophenoxy)methyl]phenyl]methylideneamino]guanidine
CID 168590822
2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168590584
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine (CID 168592804) is 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1cc(F)ccc1O.
What is the InChIKey of 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is ZEELNZIVCHHTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O/c9-6-1-2-7(14)5(3-6)4-12-13-8(10)11/h1-4,14H,(H4,10,11,13).
What are the key properties of 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine?
2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine has a molecular weight of 196.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).