azane;1-phenyl-2-pyridin-1-ium-1-ylethanone

C13H15N2O+ — CID 175247210

IUPACazane;1-phenyl-2-pyridin-1-ium-1-ylethanone
SMILESN.O=C(C[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C13H12NO.H3N/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-10H,11H2;1H3/q+1;
InChIKeyGACNIIDYHXRKPP-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.02
Rot. Bonds3

About azane;1-phenyl-2-pyridin-1-ium-1-ylethanone

azane;1-phenyl-2-pyridin-1-ium-1-ylethanone (PubChem CID 175247210) has the molecular formula C13H15N2O+ and a molecular weight of 215.28 g/mol. Its IUPAC name is azane;1-phenyl-2-pyridin-1-ium-1-ylethanone.

Molecular Properties

Compound Nameazane;1-phenyl-2-pyridin-1-ium-1-ylethanone
PubChem CID175247210
Molecular FormulaC13H15N2O+
Molecular Weight215.28 g/mol
Exact Mass215.12
IUPAC Nameazane;1-phenyl-2-pyridin-1-ium-1-ylethanone
SMILESN.O=C(C[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C13H12NO.H3N/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-10H,11H2;1H3/q+1;
InChIKeyGACNIIDYHXRKPP-UHFFFAOYSA-N
XLogP2.02
TPSA55.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

tris(1-phenyl-2-pyridin-1-ium-1-ylethanone);tribromide
CID 174706488
1-phenyl-2-pyrazin-1-ium-1-ylethanone;hydrobromide
CID 126958750
2-amino-1-(1-phenacylpyridin-1-ium-4-yl)ethanone
CID 170860195
2-pyridin-1-ium-1-yl-1-pyridin-4-ylethanone iodide
CID 14068651
1-(4-iodophenyl)-2-pyridin-1-ium-1-ylethanone bromide
CID 20506526
1-(4-aminophenyl)-2-pyridin-1-ium-1-ylethanone;chloride;hydrochloride
CID 22715291
1-phenyl-2-pyrimidin-1-ium-1-ylethanone bromide
CID 57423172
1-(4-methoxyphenyl)-2-pyridin-1-ium-1-ylethanone bromide
CID 11709318
2-(3-chloropyridin-1-ium-1-yl)-1-phenylethanone;hydrobromide
CID 126959206
2,2-dimethyl-1-(1-phenacylpyridin-1-ium-4-yl)propan-1-one
CID 139732290
2-[4-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-phenylethanone
CID 135765089
hydride;tetrakis(2-pyridin-1-ium-1-yl-1-pyridin-3-ylethanone);tribromide
CID 174415917

Frequently Asked Questions

What is the IUPAC name of azane;1-phenyl-2-pyridin-1-ium-1-ylethanone?
The IUPAC name of azane;1-phenyl-2-pyridin-1-ium-1-ylethanone (CID 175247210) is azane;1-phenyl-2-pyridin-1-ium-1-ylethanone.
What is the SMILES notation for azane;1-phenyl-2-pyridin-1-ium-1-ylethanone?
The canonical SMILES for azane;1-phenyl-2-pyridin-1-ium-1-ylethanone is N.O=C(C[n+]1ccccc1)c1ccccc1.
What is the InChIKey of azane;1-phenyl-2-pyridin-1-ium-1-ylethanone?
The InChIKey is GACNIIDYHXRKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO.H3N/c15-13(12-7-3-1-4-8-12)11-14-9-5-2-6-10-14;/h1-10H,11H2;1H3/q+1;.
What are the key properties of azane;1-phenyl-2-pyridin-1-ium-1-ylethanone?
azane;1-phenyl-2-pyridin-1-ium-1-ylethanone has a molecular weight of 215.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-phenyl-2-pyridin-1-ium-1-ylethanone is sourced from PubChem (CID 175247210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).