guanidine;pyridin-3-yl nitrate

C6H9N5O3 — CID 173434009

IUPACguanidine;pyridin-3-yl nitrate
SMILESO=[N+]([O-])Oc1cccnc1.[H]N=C(N)N
InChIInChI=1S/C5H4N2O3.CH5N3/c8-7(9)10-5-2-1-3-6-4-5;2-1(3)4/h1-4H;(H5,2,3,4)
InChIKeyOKVXVYJBLAOTQP-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.51
Rot. Bonds2

About guanidine;pyridin-3-yl nitrate

guanidine;pyridin-3-yl nitrate (PubChem CID 173434009) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is guanidine;pyridin-3-yl nitrate.

Molecular Properties

Compound Nameguanidine;pyridin-3-yl nitrate
PubChem CID173434009
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Nameguanidine;pyridin-3-yl nitrate
SMILESO=[N+]([O-])Oc1cccnc1.[H]N=C(N)N
InChIInChI=1S/C5H4N2O3.CH5N3/c8-7(9)10-5-2-1-3-6-4-5;2-1(3)4/h1-4H;(H5,2,3,4)
InChIKeyOKVXVYJBLAOTQP-UHFFFAOYSA-N
XLogP-0.51
TPSA141.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

phenyl nitrate;hydrate
CID 175136027
butane;pyridin-3-yl carbamate
CID 69137647
2-nitro-1-pyridin-3-ylethenamine
CID 70571818
ethane-1,2-diamine;3-nitropyridine
CID 142993055
1,3-diaminourea;3-methoxypyridine
CID 175323453
pyridin-3-yl hydrogen sulfite
CID 68912651
2-nitro-1-(pyridin-3-ylmethyl)guanidine
CID 173335472
pyridin-3-yl hypochlorite
CID 91164948
2-chloro-1-nitro-1-(pyridin-3-ylmethyl)guanidine
CID 70249226
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
formaldehyde;3-nitropyridine
CID 159977951
sodium oxido-oxo-pyridin-3-yloxyphosphanium
CID 141390427

Frequently Asked Questions

What is the IUPAC name of guanidine;pyridin-3-yl nitrate?
The IUPAC name of guanidine;pyridin-3-yl nitrate (CID 173434009) is guanidine;pyridin-3-yl nitrate.
What is the SMILES notation for guanidine;pyridin-3-yl nitrate?
The canonical SMILES for guanidine;pyridin-3-yl nitrate is O=[N+]([O-])Oc1cccnc1.[H]N=C(N)N.
What is the InChIKey of guanidine;pyridin-3-yl nitrate?
The InChIKey is OKVXVYJBLAOTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3.CH5N3/c8-7(9)10-5-2-1-3-6-4-5;2-1(3)4/h1-4H;(H5,2,3,4).
What are the key properties of guanidine;pyridin-3-yl nitrate?
guanidine;pyridin-3-yl nitrate has a molecular weight of 199.17 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;pyridin-3-yl nitrate is sourced from PubChem (CID 173434009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).