N',2-dihydroxybenzenecarboximidamide

C7H8N2O2 — CID 4227476

IUPACN',2-dihydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1O
InChIInChI=1S/C7H8N2O2/c8-7(9-11)5-3-1-2-4-6(5)10/h1-4,10-11H,(H2,8,9)
InChIKeyDVAPQSJNIZTABV-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.49
Rot. Bonds1

About N',2-dihydroxybenzenecarboximidamide

N',2-dihydroxybenzenecarboximidamide (PubChem CID 4227476) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is N',2-dihydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN',2-dihydroxybenzenecarboximidamide
PubChem CID4227476
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC NameN',2-dihydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccccc1O
InChIInChI=1S/C7H8N2O2/c8-7(9-11)5-3-1-2-4-6(5)10/h1-4,10-11H,(H2,8,9)
InChIKeyDVAPQSJNIZTABV-UHFFFAOYSA-N
XLogP0.49
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.49
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
N'-hydroxy-2-iodobenzenecarboximidamide
CID 6269117
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
N',2-dihydroxy-5-phenoxybenzenecarboximidamide
CID 136821696
N',2,3,4-tetrahydroxybenzenecarboximidamide
CID 137272407
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
N'-hydroxy-2-[(2-methylpropan-2-yl)oxymethyl]benzenecarboximidamide
CID 43128379
N'-hydroxy-2-phenoxybenzenecarboximidamide
CID 51603436
N'-hydroxybenzenecarboximidamide
CID 142861747

Frequently Asked Questions

What is the IUPAC name of N',2-dihydroxybenzenecarboximidamide?
The IUPAC name of N',2-dihydroxybenzenecarboximidamide (CID 4227476) is N',2-dihydroxybenzenecarboximidamide.
What is the SMILES notation for N',2-dihydroxybenzenecarboximidamide?
The canonical SMILES for N',2-dihydroxybenzenecarboximidamide is NC(=NO)c1ccccc1O.
What is the InChIKey of N',2-dihydroxybenzenecarboximidamide?
The InChIKey is DVAPQSJNIZTABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-7(9-11)5-3-1-2-4-6(5)10/h1-4,10-11H,(H2,8,9).
What are the key properties of N',2-dihydroxybenzenecarboximidamide?
N',2-dihydroxybenzenecarboximidamide has a molecular weight of 152.15 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dihydroxybenzenecarboximidamide is sourced from PubChem (CID 4227476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).