N-(2-nitramido-3-pyridinyl)nitramide

C5H5N5O4 — CID 15047297

IUPACN-(2-nitramido-3-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1cccnc1N[N+](=O)[O-]
InChIInChI=1S/C5H5N5O4/c11-9(12)7-4-2-1-3-6-5(4)8-10(13)14/h1-3,7H,(H,6,8)
InChIKeyUVZRTOCITRHCCU-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.29
Rot. Bonds4

About N-(2-nitramido-3-pyridinyl)nitramide

N-(2-nitramido-3-pyridinyl)nitramide (PubChem CID 15047297) has the molecular formula C5H5N5O4 and a molecular weight of 199.13 g/mol. Its IUPAC name is N-(2-nitramido-3-pyridinyl)nitramide.

Molecular Properties

Compound NameN-(2-nitramido-3-pyridinyl)nitramide
PubChem CID15047297
Molecular FormulaC5H5N5O4
Molecular Weight199.13 g/mol
Exact Mass199.03
IUPAC NameN-(2-nitramido-3-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1cccnc1N[N+](=O)[O-]
InChIInChI=1S/C5H5N5O4/c11-9(12)7-4-2-1-3-6-5(4)8-10(13)14/h1-3,7H,(H,6,8)
InChIKeyUVZRTOCITRHCCU-UHFFFAOYSA-N
XLogP0.29
TPSA123.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N-(3-methyl-2-pyridinyl)nitramide
CID 572095
N-(3-iodo-2-pyridinyl)nitramide
CID 119093198
N-(3,4-dimethyl-2-pyridinyl)nitramide
CID 174290384
N-methyl-2-nitropyridin-3-amine
CID 555983
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
N-(2,3-dicyanophenyl)nitramide
CID 67391163
N'-(2-nitro-3-pyridinyl)benzohydrazide
CID 14387403
5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
CID 22537644
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
3-[(3-nitro-2-pyridinyl)amino]-2-phenylbenzaldehyde
CID 88643270

Frequently Asked Questions

What is the IUPAC name of N-(2-nitramido-3-pyridinyl)nitramide?
The IUPAC name of N-(2-nitramido-3-pyridinyl)nitramide (CID 15047297) is N-(2-nitramido-3-pyridinyl)nitramide.
What is the SMILES notation for N-(2-nitramido-3-pyridinyl)nitramide?
The canonical SMILES for N-(2-nitramido-3-pyridinyl)nitramide is O=[N+]([O-])Nc1cccnc1N[N+](=O)[O-].
What is the InChIKey of N-(2-nitramido-3-pyridinyl)nitramide?
The InChIKey is UVZRTOCITRHCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O4/c11-9(12)7-4-2-1-3-6-5(4)8-10(13)14/h1-3,7H,(H,6,8).
What are the key properties of N-(2-nitramido-3-pyridinyl)nitramide?
N-(2-nitramido-3-pyridinyl)nitramide has a molecular weight of 199.13 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitramido-3-pyridinyl)nitramide is sourced from PubChem (CID 15047297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).