1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine

C7H8N6O2 — CID 131842509

IUPAC1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
SMILESN/C(=N\N=Cc1cccnc1)N[N+](=O)[O-]
InChIInChI=1S/C7H8N6O2/c8-7(12-13(14)15)11-10-5-6-2-1-3-9-4-6/h1-5H,(H3,8,11,12)
InChIKeyJUKNODBHALQSMA-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.49
Rot. Bonds3

About 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine

1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine (PubChem CID 131842509) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine.

Molecular Properties

Compound Name1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
PubChem CID131842509
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
SMILESN/C(=N\N=Cc1cccnc1)N[N+](=O)[O-]
InChIInChI=1S/C7H8N6O2/c8-7(12-13(14)15)11-10-5-6-2-1-3-9-4-6/h1-5H,(H3,8,11,12)
InChIKeyJUKNODBHALQSMA-UHFFFAOYSA-N
XLogP-0.49
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.49
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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
CID 6913986
2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
CID 54609066
1-nitro-2-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]guanidine
CID 3544962
methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate
CID 6850946
1,1-diamino-N-[(E)-pyridin-3-ylmethylideneamino]methanimine oxide
CID 135853793
1-nitro-2-[(E)-quinolin-2-ylmethylideneamino]guanidine
CID 14001038
1-hydroxy-2-[(3-nitrophenyl)methylideneamino]guanidine
CID 3664768
N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
CID 19173128
2-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-nitroguanidine
CID 172952986
(2E)-2-[(E)-[amino(nitramido)methylidene]hydrazinylidene]acetic acid
CID 15547784
2-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-1-nitroguanidine
CID 135613058
hydrazine;pyridine-3-carbaldehyde
CID 174684947

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine?
The IUPAC name of 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine (CID 131842509) is 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine.
What is the SMILES notation for 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine?
The canonical SMILES for 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine is N/C(=N\N=Cc1cccnc1)N[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine?
The InChIKey is JUKNODBHALQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c8-7(12-13(14)15)11-10-5-6-2-1-3-9-4-6/h1-5H,(H3,8,11,12).
What are the key properties of 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine?
1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine has a molecular weight of 208.18 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine is sourced from PubChem (CID 131842509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).