2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine

C12H12N6O2 — CID 133185641

IUPAC2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine
SMILESCc1cccnc1/N=C(\N)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H12N6O2/c1-8-3-2-6-14-11(8)17-12(13)16-10-5-4-9(7-15-10)18(19)20/h2-7H,1H3,(H3,13,14,15,16,17)
InChIKeyRNVZPJIMDKRHLS-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.75
Rot. Bonds3

About 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine

2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine (PubChem CID 133185641) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine
PubChem CID133185641
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine
SMILESCc1cccnc1/N=C(\N)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C12H12N6O2/c1-8-3-2-6-14-11(8)17-12(13)16-10-5-4-9(7-15-10)18(19)20/h2-7H,1H3,(H3,13,14,15,16,17)
InChIKeyRNVZPJIMDKRHLS-UHFFFAOYSA-N
XLogP1.75
TPSA119.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(5-nitro-2-pyridinyl)-1-phenylguanidine
CID 100573340
N-(5-amino-2-pyridinyl)-2,2-dimethylpropanamide;2,2-dimethyl-N-(5-nitro-2-pyridinyl)propanamide
CID 157357531
methyl 4-[[N'-(3-nitro-2-pyridinyl)carbamimidoyl]amino]benzoate
CID 100574946
ethane;2-methyl-5-nitropyridine
CID 123657002
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
2-[(5-nitro-2-pyridinyl)amino]propanamide
CID 43402589
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 126184841
N-(5-nitro-2-pyridinyl)-2,2-diphenylacetamide
CID 2867447
2-methylsulfanyl-N-(5-nitro-2-pyridinyl)pyridin-3-amine
CID 121006270
1-(5-hydroxynaphthalen-1-yl)-2-(5-nitro-2-pyridinyl)guanidine
CID 100573604
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;pyridin-2-ylmethanamine
CID 67561666

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine?
The IUPAC name of 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine (CID 133185641) is 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine is Cc1cccnc1/N=C(\N)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine?
The InChIKey is RNVZPJIMDKRHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-8-3-2-6-14-11(8)17-12(13)16-10-5-4-9(7-15-10)18(19)20/h2-7H,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine?
2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine has a molecular weight of 272.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)-1-(5-nitro-2-pyridinyl)guanidine is sourced from PubChem (CID 133185641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).