2-amino-5-nitrobenzenecarboximidamide

C7H8N4O2 — CID 23570805

IUPAC2-amino-5-nitrobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C7H8N4O2/c8-6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3H,8H2,(H3,9,10)
InChIKeySANYQLJUVTZWIM-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.46
Rot. Bonds2

About 2-amino-5-nitrobenzenecarboximidamide

2-amino-5-nitrobenzenecarboximidamide (PubChem CID 23570805) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-amino-5-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-5-nitrobenzenecarboximidamide
PubChem CID23570805
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name2-amino-5-nitrobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C7H8N4O2/c8-6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3H,8H2,(H3,9,10)
InChIKeySANYQLJUVTZWIM-UHFFFAOYSA-N
XLogP0.46
TPSA119.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

4-nitro-2-(2,2,2-trifluoroethanimidoyl)aniline
CID 155135045
1-(2-amino-5-nitrophenyl)-1-iminopropan-2-ol
CID 155482630
2-[(Z)-2-amino-3-[amino(methyl)amino]prop-2-enimidoyl]-4-nitroaniline
CID 155482293
potassium 2-amino-5-nitrobenzoate
CID 171152190
2-amino-4-chloro-5-nitrobenzenecarboximidamide
CID 150654153
5-bromo-2-(2-chloro-4-nitrophenoxy)benzenecarboximidamide
CID 114893295
4-amino-3-carbamimidoylbenzoic acid
CID 155053742
5-methyl-2-(2-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 107930878
2-chloro-4-(4-nitrophenyl)sulfanylbenzenecarboximidamide
CID 62948556
2-methoxy-5-nitropyridine-3-carboximidamide
CID 20715089
5-bromo-2-(3-nitrophenoxy)benzenecarboximidamide
CID 114893291
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-nitroaniline
CID 143426593

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitrobenzenecarboximidamide?
The IUPAC name of 2-amino-5-nitrobenzenecarboximidamide (CID 23570805) is 2-amino-5-nitrobenzenecarboximidamide.
What is the SMILES notation for 2-amino-5-nitrobenzenecarboximidamide?
The canonical SMILES for 2-amino-5-nitrobenzenecarboximidamide is [H]/N=C(\N)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-5-nitrobenzenecarboximidamide?
The InChIKey is SANYQLJUVTZWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c8-6-2-1-4(11(12)13)3-5(6)7(9)10/h1-3H,8H2,(H3,9,10).
What are the key properties of 2-amino-5-nitrobenzenecarboximidamide?
2-amino-5-nitrobenzenecarboximidamide has a molecular weight of 180.17 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitrobenzenecarboximidamide is sourced from PubChem (CID 23570805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).