[3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol

C14H13FN2O2 — CID 142179153

IUPAC[3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol
SMILES[H]/N=C(\c1cccc(F)c1)c1cc(CO)ccc1NO
InChIInChI=1S/C14H13FN2O2/c15-11-3-1-2-10(7-11)14(16)12-6-9(8-18)4-5-13(12)17-19/h1-7,16-19H,8H2/b16-14+
InChIKeyMAAVIMDTGLMACM-JQIJEIRASA-N
MW260.27 g/mol
LogP2.54
Rot. Bonds4

About [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol

[3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol (PubChem CID 142179153) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol
PubChem CID142179153
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name[3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol
SMILES[H]/N=C(\c1cccc(F)c1)c1cc(CO)ccc1NO
InChIInChI=1S/C14H13FN2O2/c15-11-3-1-2-10(7-11)14(16)12-6-9(8-18)4-5-13(12)17-19/h1-7,16-19H,8H2/b16-14+
InChIKeyMAAVIMDTGLMACM-JQIJEIRASA-N
XLogP2.54
TPSA76.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline
CID 142178906
4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine
CID 163940472
N-(2,3-dihydroxypropyl)formamide;2-(3-fluorobenzenecarboximidoyl)-4-methylaniline
CID 142179115
[4-amino-2-(3-fluorobenzenecarboximidoyl)-3-methoxyanilino]thallium
CID 142179068
3-fluoro-N'-[[4-(hydroxymethyl)phenyl]methoxy]benzenecarboximidamide
CID 110005979
1-(3-fluorophenyl)pentan-1-imine
CID 125478638
3-(4-fluorobenzenecarboximidoyl)-4-(methylamino)benzoic acid
CID 88569484
cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone
CID 134471425
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine
CID 123572426
3-fluoro-N-hydroxybenzamide
CID 5082377
4-[(3-fluorophenyl)methylamino]-3-methanimidoylbenzoic acid
CID 177142976

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol?
The IUPAC name of [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol (CID 142179153) is [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol.
What is the SMILES notation for [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol?
The canonical SMILES for [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol is [H]/N=C(\c1cccc(F)c1)c1cc(CO)ccc1NO.
What is the InChIKey of [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol?
The InChIKey is MAAVIMDTGLMACM-JQIJEIRASA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-11-3-1-2-10(7-11)14(16)12-6-9(8-18)4-5-13(12)17-19/h1-7,16-19H,8H2/b16-14+.
What are the key properties of [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol?
[3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol has a molecular weight of 260.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol is sourced from PubChem (CID 142179153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).