anilino-oxo-pyridin-1-ium-4-ylazanium

C11H11N3O+2 — CID 102418364

IUPACanilino-oxo-pyridin-1-ium-4-ylazanium
SMILESO=[N+](Nc1ccccc1)c1cc[nH+]cc1
InChIInChI=1S/C11H10N3O/c15-14(11-6-8-12-9-7-11)13-10-4-2-1-3-5-10/h1-9H,(H,13,15)/q+1/p+1
InChIKeyDJMIUTJFTPGRLR-UHFFFAOYSA-O
MW201.23 g/mol
LogP1.94
Rot. Bonds3

About anilino-oxo-pyridin-1-ium-4-ylazanium

anilino-oxo-pyridin-1-ium-4-ylazanium (PubChem CID 102418364) has the molecular formula C11H11N3O+2 and a molecular weight of 201.23 g/mol. Its IUPAC name is anilino-oxo-pyridin-1-ium-4-ylazanium.

Molecular Properties

Compound Nameanilino-oxo-pyridin-1-ium-4-ylazanium
PubChem CID102418364
Molecular FormulaC11H11N3O+2
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Nameanilino-oxo-pyridin-1-ium-4-ylazanium
SMILESO=[N+](Nc1ccccc1)c1cc[nH+]cc1
InChIInChI=1S/C11H10N3O/c15-14(11-6-8-12-9-7-11)13-10-4-2-1-3-5-10/h1-9H,(H,13,15)/q+1/p+1
InChIKeyDJMIUTJFTPGRLR-UHFFFAOYSA-O
XLogP1.94
TPSA46.25 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

oxo-phenyl-(pyridin-1-ium-3-ylamino)azanium
CID 102418365
(4-bromoanilino)-(4-bromophenyl)-oxoazanium
CID 100577113
λ2-plumbane;N-phenylnitramide
CID 174797622
anilino-(2-methoxyphenyl)-oxoazanium
CID 122385932
dianilino-[bis(sulfanyl)methylidene]azanium
CID 22834017
phenylsulfamic acid
CID 160771078
3,5-dinitro-N'-phenylbenzohydrazide
CID 78774569
N-(2-nitroprop-2-enyl)aniline
CID 68795117
1,2-diphenylhydrazine;hydrobromide
CID 162337860
azane;N-phenylaniline
CID 67074378
1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523

Frequently Asked Questions

What is the IUPAC name of anilino-oxo-pyridin-1-ium-4-ylazanium?
The IUPAC name of anilino-oxo-pyridin-1-ium-4-ylazanium (CID 102418364) is anilino-oxo-pyridin-1-ium-4-ylazanium.
What is the SMILES notation for anilino-oxo-pyridin-1-ium-4-ylazanium?
The canonical SMILES for anilino-oxo-pyridin-1-ium-4-ylazanium is O=[N+](Nc1ccccc1)c1cc[nH+]cc1.
What is the InChIKey of anilino-oxo-pyridin-1-ium-4-ylazanium?
The InChIKey is DJMIUTJFTPGRLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10N3O/c15-14(11-6-8-12-9-7-11)13-10-4-2-1-3-5-10/h1-9H,(H,13,15)/q+1/p+1.
What are the key properties of anilino-oxo-pyridin-1-ium-4-ylazanium?
anilino-oxo-pyridin-1-ium-4-ylazanium has a molecular weight of 201.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anilino-oxo-pyridin-1-ium-4-ylazanium is sourced from PubChem (CID 102418364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).