1-nitro-2-(pyridin-4-ylmethyl)guanidine

C7H9N5O2 — CID 13382812

IUPAC1-nitro-2-(pyridin-4-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccncc1)N[N+](=O)[O-]
InChIInChI=1S/C7H9N5O2/c8-7(11-12(13)14)10-5-6-1-3-9-4-2-6/h1-4H,5H2,(H3,8,10,11)
InChIKeyIWULQLMODNMDSR-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.32
Rot. Bonds3

About 1-nitro-2-(pyridin-4-ylmethyl)guanidine

1-nitro-2-(pyridin-4-ylmethyl)guanidine (PubChem CID 13382812) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-nitro-2-(pyridin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-nitro-2-(pyridin-4-ylmethyl)guanidine
PubChem CID13382812
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name1-nitro-2-(pyridin-4-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccncc1)N[N+](=O)[O-]
InChIInChI=1S/C7H9N5O2/c8-7(11-12(13)14)10-5-6-1-3-9-4-2-6/h1-4H,5H2,(H3,8,10,11)
InChIKeyIWULQLMODNMDSR-UHFFFAOYSA-N
XLogP-0.32
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.32
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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(pyridin-4-ylmethyl)guanidine
CID 23471425
2-[3-[[[amino(nitramido)methylidene]amino]methyl]phenyl]-1-nitroguanidine
CID 18621880
2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
CID 23471478
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
1-amino-2-[(4-methylphenyl)methyl]guanidine;nitric acid
CID 23618037
1-nitro-2-[2-(pyridazin-3-ylmethylamino)ethyl]guanidine
CID 20571819
1-nitro-2-[2-(pyrimidin-2-ylmethylsulfanyl)ethyl]guanidine
CID 20567726
1-tert-butyl-2-[(4-nitrophenyl)methyl]guanidine
CID 62363744
1-nitro-2-(2,2,2-trinitroethyl)guanidine
CID 12938666

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-(pyridin-4-ylmethyl)guanidine?
The IUPAC name of 1-nitro-2-(pyridin-4-ylmethyl)guanidine (CID 13382812) is 1-nitro-2-(pyridin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-nitro-2-(pyridin-4-ylmethyl)guanidine?
The canonical SMILES for 1-nitro-2-(pyridin-4-ylmethyl)guanidine is N/C(=N\Cc1ccncc1)N[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-(pyridin-4-ylmethyl)guanidine?
The InChIKey is IWULQLMODNMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-7(11-12(13)14)10-5-6-1-3-9-4-2-6/h1-4H,5H2,(H3,8,10,11).
What are the key properties of 1-nitro-2-(pyridin-4-ylmethyl)guanidine?
1-nitro-2-(pyridin-4-ylmethyl)guanidine has a molecular weight of 195.18 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-(pyridin-4-ylmethyl)guanidine is sourced from PubChem (CID 13382812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).