nitric acid;2-nitro-1-pyridin-3-ylguanidine

C6H8N6O5 — CID 173142805

IUPACnitric acid;2-nitro-1-pyridin-3-ylguanidine
SMILESN/C(=N/[N+](=O)[O-])Nc1cccnc1.O=[N+]([O-])O
InChIInChI=1S/C6H7N5O2.HNO3/c7-6(10-11(12)13)9-5-2-1-3-8-4-5;2-1(3)4/h1-4H,(H3,7,9,10);(H,2,3,4)
InChIKeyAKHIADYVFOFAMR-UHFFFAOYSA-N
MW244.17 g/mol
LogP-0.35
Rot. Bonds2

About nitric acid;2-nitro-1-pyridin-3-ylguanidine

nitric acid;2-nitro-1-pyridin-3-ylguanidine (PubChem CID 173142805) has the molecular formula C6H8N6O5 and a molecular weight of 244.17 g/mol. Its IUPAC name is nitric acid;2-nitro-1-pyridin-3-ylguanidine.

Molecular Properties

Compound Namenitric acid;2-nitro-1-pyridin-3-ylguanidine
PubChem CID173142805
Molecular FormulaC6H8N6O5
Molecular Weight244.17 g/mol
Exact Mass244.06
IUPAC Namenitric acid;2-nitro-1-pyridin-3-ylguanidine
SMILESN/C(=N/[N+](=O)[O-])Nc1cccnc1.O=[N+]([O-])O
InChIInChI=1S/C6H7N5O2.HNO3/c7-6(10-11(12)13)9-5-2-1-3-8-4-5;2-1(3)4/h1-4H,(H3,7,9,10);(H,2,3,4)
InChIKeyAKHIADYVFOFAMR-UHFFFAOYSA-N
XLogP-0.35
TPSA169.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
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'}

Analyze nitric acid;2-nitro-1-pyridin-3-ylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-1-(pyridin-3-ylmethyl)guanidine
CID 173335472
2-(benzenesulfonyl)-1-pyridin-3-ylguanidine
CID 18770578
1-pyridin-3-yl-2-(trifluoromethylsulfonyl)guanidine
CID 18770585
pyridin-3-ylthiourea
CID 2760515
boric acid;pyridin-3-ylurea
CID 175497836
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
N-[4-amino-3,3-dimethyl-1-nitroimino-1-(pyridin-3-ylamino)butan-2-yl]-4-phenylbenzamide
CID 173219509
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
CID 70456930
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
(4-nitrophenyl)methyl N-pyridin-3-ylcarbamate
CID 67585482
N-[4-[[(E)-N'-nitrocarbamimidoyl]amino]phenyl]furan-2-carboxamide
CID 135504273
N-[2,2-dimethyl-3-[(N'-nitro-N-pyridin-3-ylcarbamimidoyl)amino]propyl]-4-phenylbenzamide
CID 173218723

Frequently Asked Questions

What is the IUPAC name of nitric acid;2-nitro-1-pyridin-3-ylguanidine?
The IUPAC name of nitric acid;2-nitro-1-pyridin-3-ylguanidine (CID 173142805) is nitric acid;2-nitro-1-pyridin-3-ylguanidine.
What is the SMILES notation for nitric acid;2-nitro-1-pyridin-3-ylguanidine?
The canonical SMILES for nitric acid;2-nitro-1-pyridin-3-ylguanidine is N/C(=N/[N+](=O)[O-])Nc1cccnc1.O=[N+]([O-])O.
What is the InChIKey of nitric acid;2-nitro-1-pyridin-3-ylguanidine?
The InChIKey is AKHIADYVFOFAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2.HNO3/c7-6(10-11(12)13)9-5-2-1-3-8-4-5;2-1(3)4/h1-4H,(H3,7,9,10);(H,2,3,4).
What are the key properties of nitric acid;2-nitro-1-pyridin-3-ylguanidine?
nitric acid;2-nitro-1-pyridin-3-ylguanidine has a molecular weight of 244.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;2-nitro-1-pyridin-3-ylguanidine is sourced from PubChem (CID 173142805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).