2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide

C10H13N3O3 — CID 135753762

IUPAC2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide
SMILESC/N=C(/c1cccc([N+](=O)[O-])c1O)N(C)C
InChIInChI=1S/C10H13N3O3/c1-11-10(12(2)3)7-5-4-6-8(9(7)14)13(15)16/h4-6,14H,1-3H3/b11-10-
InChIKeyAXPUCMOZGOZRHZ-KHPPLWFESA-N
MW223.23 g/mol
LogP1.24
Rot. Bonds2

About 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide

2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide (PubChem CID 135753762) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide
PubChem CID135753762
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide
SMILESC/N=C(/c1cccc([N+](=O)[O-])c1O)N(C)C
InChIInChI=1S/C10H13N3O3/c1-11-10(12(2)3)7-5-4-6-8(9(7)14)13(15)16/h4-6,14H,1-3H3/b11-10-
InChIKeyAXPUCMOZGOZRHZ-KHPPLWFESA-N
XLogP1.24
TPSA78.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 58418423
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2-hydroxy-3-nitrobenzohydrazide
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2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
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2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
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N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone
CID 141362308
ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
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(2-hydroxy-3-nitrophenyl)boronic acid
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide?
The IUPAC name of 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide (CID 135753762) is 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide.
What is the SMILES notation for 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide?
The canonical SMILES for 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide is C/N=C(/c1cccc([N+](=O)[O-])c1O)N(C)C.
What is the InChIKey of 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide?
The InChIKey is AXPUCMOZGOZRHZ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H13N3O3/c1-11-10(12(2)3)7-5-4-6-8(9(7)14)13(15)16/h4-6,14H,1-3H3/b11-10-.
What are the key properties of 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide?
2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide has a molecular weight of 223.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N,N'-trimethyl-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 135753762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).