2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine

C8H12N6O2 — CID 139990848

IUPAC2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine
SMILESNC(N)=NCCNc1cccc([N+](=O)[O-])n1
InChIInChI=1S/C8H12N6O2/c9-8(10)12-5-4-11-6-2-1-3-7(13-6)14(15)16/h1-3H,4-5H2,(H,11,13)(H4,9,10,12)
InChIKeyGPFQJBSCQRNCEC-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.32
Rot. Bonds5

About 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine

2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine (PubChem CID 139990848) has the molecular formula C8H12N6O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine
PubChem CID139990848
Molecular FormulaC8H12N6O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine
SMILESNC(N)=NCCNc1cccc([N+](=O)[O-])n1
InChIInChI=1S/C8H12N6O2/c9-8(10)12-5-4-11-6-2-1-3-7(13-6)14(15)16/h1-3H,4-5H2,(H,11,13)(H4,9,10,12)
InChIKeyGPFQJBSCQRNCEC-UHFFFAOYSA-N
XLogP-0.32
TPSA132.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[2-(pyridazin-3-ylamino)ethyl]guanidine
CID 130785372
2-[2-(pyrimidin-2-ylamino)ethyl]guanidine
CID 130723153
N-(6-nitro-2-pyridinyl)-1,3-oxazole-4-carboxamide
CID 169041191
dihydroxy(oxo)azanium;2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
CID 6332174
6-chloro-N-[2-(4-nitrophenyl)ethyl]pyridin-2-amine
CID 106194233
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239517
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
1-tert-butyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111079535
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250
1-(4-methoxyphenyl)-2-[2-(4-nitroanilino)ethyl]guanidine
CID 111033955
2-methoxy-6-nitropyridine
CID 69112331
2-[(6-amino-2-pyridinyl)amino]ethanol
CID 66907238

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine (CID 139990848) is 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine is NC(N)=NCCNc1cccc([N+](=O)[O-])n1.
What is the InChIKey of 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine?
The InChIKey is GPFQJBSCQRNCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2/c9-8(10)12-5-4-11-6-2-1-3-7(13-6)14(15)16/h1-3H,4-5H2,(H,11,13)(H4,9,10,12).
What are the key properties of 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine?
2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine has a molecular weight of 224.22 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-nitro-2-pyridinyl)amino]ethyl]guanidine is sourced from PubChem (CID 139990848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).