N',2,3,4-tetrahydroxybenzenecarboximidamide

C7H8N2O4 — CID 137272407

IUPACN',2,3,4-tetrahydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(O)c(O)c1O
InChIInChI=1S/C7H8N2O4/c8-7(9-13)3-1-2-4(10)6(12)5(3)11/h1-2,10-13H,(H2,8,9)
InChIKeyYPDCARQCUJAWLA-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.10
Rot. Bonds1

About N',2,3,4-tetrahydroxybenzenecarboximidamide

N',2,3,4-tetrahydroxybenzenecarboximidamide (PubChem CID 137272407) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is N',2,3,4-tetrahydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN',2,3,4-tetrahydroxybenzenecarboximidamide
PubChem CID137272407
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC NameN',2,3,4-tetrahydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(O)c(O)c1O
InChIInChI=1S/C7H8N2O4/c8-7(9-13)3-1-2-4(10)6(12)5(3)11/h1-2,10-13H,(H2,8,9)
InChIKeyYPDCARQCUJAWLA-UHFFFAOYSA-N
XLogP-0.10
TPSA119.30 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

N',2-dihydroxybenzenecarboximidamide
CID 4227476
N',2-dihydroxy-3-prop-2-enylbenzenecarboximidamide
CID 165345619
benzene-1,2,3,4-tetrol;methanol
CID 174976921
N',2-dihydroxy-5-phenoxybenzenecarboximidamide
CID 136821696
N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-(2-hydroxyphenyl)acetamide
CID 80723368
2-(aminomethyl)-N'-hydroxybenzenecarboximidamide
CID 22358532
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
4-ethyl-2,3-difluoro-N'-hydroxybenzenecarboximidamide
CID 91134081
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
CID 58182009
N'-hydroxy-2-iodobenzenecarboximidamide
CID 6269117
2-N',3-N',1,4-tetrahydroxynaphthalene-2,3-dicarboximidamide
CID 135496562

Frequently Asked Questions

What is the IUPAC name of N',2,3,4-tetrahydroxybenzenecarboximidamide?
The IUPAC name of N',2,3,4-tetrahydroxybenzenecarboximidamide (CID 137272407) is N',2,3,4-tetrahydroxybenzenecarboximidamide.
What is the SMILES notation for N',2,3,4-tetrahydroxybenzenecarboximidamide?
The canonical SMILES for N',2,3,4-tetrahydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(O)c(O)c1O.
What is the InChIKey of N',2,3,4-tetrahydroxybenzenecarboximidamide?
The InChIKey is YPDCARQCUJAWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c8-7(9-13)3-1-2-4(10)6(12)5(3)11/h1-2,10-13H,(H2,8,9).
What are the key properties of N',2,3,4-tetrahydroxybenzenecarboximidamide?
N',2,3,4-tetrahydroxybenzenecarboximidamide has a molecular weight of 184.15 g/mol, XLogP of -0.10, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,3,4-tetrahydroxybenzenecarboximidamide is sourced from PubChem (CID 137272407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).