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

C7H9N5O2 — CID 173335472

IUPAC2-nitro-1-(pyridin-3-ylmethyl)guanidine
SMILESNC(=N[N+](=O)[O-])NCc1cccnc1
InChIInChI=1S/C7H9N5O2/c8-7(11-12(13)14)10-5-6-2-1-3-9-4-6/h1-4H,5H2,(H3,8,10,11)
InChIKeyANEUOZZZHKXARU-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.32
Rot. Bonds3

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

2-nitro-1-(pyridin-3-ylmethyl)guanidine (PubChem CID 173335472) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-nitro-1-(pyridin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name2-nitro-1-(pyridin-3-ylmethyl)guanidine
PubChem CID173335472
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-nitro-1-(pyridin-3-ylmethyl)guanidine
SMILESNC(=N[N+](=O)[O-])NCc1cccnc1
InChIInChI=1S/C7H9N5O2/c8-7(11-12(13)14)10-5-6-2-1-3-9-4-6/h1-4H,5H2,(H3,8,10,11)
InChIKeyANEUOZZZHKXARU-UHFFFAOYSA-N
XLogP-0.32
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors3
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 ≤ 103

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-[(6-chloro-3-pyridinyl)methyl]-2-nitroguanidine
CID 137137661
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
nitric acid;2-nitro-1-pyridin-3-ylguanidine
CID 173142805
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-chloro-1-nitro-1-(pyridin-3-ylmethyl)guanidine
CID 70249226
(E)-2-nitro-1-N-pentyl-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine
CID 15452246
2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine
CID 70157675
3-amino-3-hydroxyimino-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
CID 76920376
2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 2943822
2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 691924
1-[(E)-N'-hydroxycarbamimidoyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80591201
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-(pyridin-3-ylmethyl)guanidine?
The IUPAC name of 2-nitro-1-(pyridin-3-ylmethyl)guanidine (CID 173335472) is 2-nitro-1-(pyridin-3-ylmethyl)guanidine.
What is the SMILES notation for 2-nitro-1-(pyridin-3-ylmethyl)guanidine?
The canonical SMILES for 2-nitro-1-(pyridin-3-ylmethyl)guanidine is NC(=N[N+](=O)[O-])NCc1cccnc1.
What is the InChIKey of 2-nitro-1-(pyridin-3-ylmethyl)guanidine?
The InChIKey is ANEUOZZZHKXARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c8-7(11-12(13)14)10-5-6-2-1-3-9-4-6/h1-4H,5H2,(H3,8,10,11).
What are the key properties of 2-nitro-1-(pyridin-3-ylmethyl)guanidine?
2-nitro-1-(pyridin-3-ylmethyl)guanidine has a molecular weight of 195.18 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-(pyridin-3-ylmethyl)guanidine is sourced from PubChem (CID 173335472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).