2-(5-nitro-2-pyridinyl)-1-phenylguanidine

C12H11N5O2 — CID 100573340

IUPAC2-(5-nitro-2-pyridinyl)-1-phenylguanidine
SMILESN/C(=N\c1ccc([N+](=O)[O-])cn1)Nc1ccccc1
InChIInChI=1S/C12H11N5O2/c13-12(15-9-4-2-1-3-5-9)16-11-7-6-10(8-14-11)17(18)19/h1-8H,(H3,13,14,15,16)
InChIKeyKEYDSYMHKXXMAK-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.05
Rot. Bonds3

About 2-(5-nitro-2-pyridinyl)-1-phenylguanidine

2-(5-nitro-2-pyridinyl)-1-phenylguanidine (PubChem CID 100573340) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(5-nitro-2-pyridinyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(5-nitro-2-pyridinyl)-1-phenylguanidine
PubChem CID100573340
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name2-(5-nitro-2-pyridinyl)-1-phenylguanidine
SMILESN/C(=N\c1ccc([N+](=O)[O-])cn1)Nc1ccccc1
InChIInChI=1S/C12H11N5O2/c13-12(15-9-4-2-1-3-5-9)16-11-7-6-10(8-14-11)17(18)19/h1-8H,(H3,13,14,15,16)
InChIKeyKEYDSYMHKXXMAK-UHFFFAOYSA-N
XLogP2.05
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
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

1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine
CID 100573604
N'-(5-nitro-2-pyridinyl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 100573733
1-(5-nitropyrimidin-2-yl)-3-phenylthiourea
CID 171396621
1-hydroxy-N-(5-nitro-2-pyridinyl)pyridin-2-imine
CID 139214633
2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine
CID 133185641
1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
CID 135981310
2-[(4R)-2-[[amino(anilino)methylidene]amino]-5-oxo-1,4-dihydroimidazol-4-yl]-N-(4-nitrophenyl)acetamide
CID 29044590
4-(2-hydroxyethyl)-N'-(5-nitro-2-pyridinyl)piperazine-1-carboximidamide
CID 100573962
2-(2-methylpyrimidin-4-yl)-1-phenylguanidine
CID 70039227
2-isothiocyanato-5-nitropyridine
CID 12866943
3-hydroxy-3-(4-nitrophenyl)-2-nitroso-N-phenylprop-2-enamide
CID 135510390
2-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 11045860

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-pyridinyl)-1-phenylguanidine?
The IUPAC name of 2-(5-nitro-2-pyridinyl)-1-phenylguanidine (CID 100573340) is 2-(5-nitro-2-pyridinyl)-1-phenylguanidine.
What is the SMILES notation for 2-(5-nitro-2-pyridinyl)-1-phenylguanidine?
The canonical SMILES for 2-(5-nitro-2-pyridinyl)-1-phenylguanidine is N/C(=N\c1ccc([N+](=O)[O-])cn1)Nc1ccccc1.
What is the InChIKey of 2-(5-nitro-2-pyridinyl)-1-phenylguanidine?
The InChIKey is KEYDSYMHKXXMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c13-12(15-9-4-2-1-3-5-9)16-11-7-6-10(8-14-11)17(18)19/h1-8H,(H3,13,14,15,16).
What are the key properties of 2-(5-nitro-2-pyridinyl)-1-phenylguanidine?
2-(5-nitro-2-pyridinyl)-1-phenylguanidine has a molecular weight of 257.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-2-pyridinyl)-1-phenylguanidine is sourced from PubChem (CID 100573340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).