3-methanimidoyl-5-nitropyridin-2-amine

C6H6N4O2 — CID 143860355

IUPAC3-methanimidoyl-5-nitropyridin-2-amine
SMILES[H]/N=C/c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C6H6N4O2/c7-2-4-1-5(10(11)12)3-9-6(4)8/h1-3,7H,(H2,8,9)/b7-2+
InChIKeyDECFCXYJWZCXFQ-FARCUNLSSA-N
MW166.14 g/mol
LogP0.57
Rot. Bonds2

About 3-methanimidoyl-5-nitropyridin-2-amine

3-methanimidoyl-5-nitropyridin-2-amine (PubChem CID 143860355) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 3-methanimidoyl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methanimidoyl-5-nitropyridin-2-amine
PubChem CID143860355
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name3-methanimidoyl-5-nitropyridin-2-amine
SMILES[H]/N=C/c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C6H6N4O2/c7-2-4-1-5(10(11)12)3-9-6(4)8/h1-3,7H,(H2,8,9)/b7-2+
InChIKeyDECFCXYJWZCXFQ-FARCUNLSSA-N
XLogP0.57
TPSA105.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

ethane;2-methanimidoyl-4-nitroaniline
CID 168895735
2-methanimidoyl-4-nitrophenolate
CID 6993247
4-(2-amino-5-nitro-3-pyridinyl)but-3-enenitrile
CID 170800160
3-(3-azidoprop-1-enyl)-5-nitropyridin-2-amine
CID 169462185
2-chloro-5-nitropyridine-3-carbaldehyde
CID 88905670
3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
CID 131043079
3-bromo-2-methanimidoyl-5-nitroaniline
CID 142352146
5-nitro-3-(2-phenylethynyl)pyridin-2-amine
CID 59322901
2-methoxy-5-nitropyridine-3-carboximidamide
CID 20715089
ethane;methane;2-methanimidoyl-5-nitro-N-propan-2-ylaniline;2-methylpropane
CID 177244168
(3-fluoro-5-nitrophenyl)methanimine
CID 139270560
2-fluoro-5-nitropyridin-3-ol
CID 130057663

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-5-nitropyridin-2-amine?
The IUPAC name of 3-methanimidoyl-5-nitropyridin-2-amine (CID 143860355) is 3-methanimidoyl-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methanimidoyl-5-nitropyridin-2-amine?
The canonical SMILES for 3-methanimidoyl-5-nitropyridin-2-amine is [H]/N=C/c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 3-methanimidoyl-5-nitropyridin-2-amine?
The InChIKey is DECFCXYJWZCXFQ-FARCUNLSSA-N. The full InChI is InChI=1S/C6H6N4O2/c7-2-4-1-5(10(11)12)3-9-6(4)8/h1-3,7H,(H2,8,9)/b7-2+.
What are the key properties of 3-methanimidoyl-5-nitropyridin-2-amine?
3-methanimidoyl-5-nitropyridin-2-amine has a molecular weight of 166.14 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-5-nitropyridin-2-amine is sourced from PubChem (CID 143860355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).