1-phenylpyridin-1-ium-2-amine chloride

C11H11ClN2 — CID 175242884

IUPAC1-phenylpyridin-1-ium-2-amine chloride
SMILESNc1cccc[n+]1-c1ccccc1.[Cl-]
InChIInChI=1S/C11H10N2.ClH/c12-11-8-4-5-9-13(11)10-6-2-1-3-7-10;/h1-9,12H;1H
InChIKeyRCATVGAOUVHVTJ-UHFFFAOYSA-N
MW206.68 g/mol
LogP-1.45
Rot. Bonds1

About 1-phenylpyridin-1-ium-2-amine chloride

1-phenylpyridin-1-ium-2-amine chloride (PubChem CID 175242884) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-phenylpyridin-1-ium-2-amine chloride.

Molecular Properties

Compound Name1-phenylpyridin-1-ium-2-amine chloride
PubChem CID175242884
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-phenylpyridin-1-ium-2-amine chloride
SMILESNc1cccc[n+]1-c1ccccc1.[Cl-]
InChIInChI=1S/C11H10N2.ClH/c12-11-8-4-5-9-13(11)10-6-2-1-3-7-10;/h1-9,12H;1H
InChIKeyRCATVGAOUVHVTJ-UHFFFAOYSA-N
XLogP-1.45
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpyridin-1-ium-2-amine chloride?
The IUPAC name of 1-phenylpyridin-1-ium-2-amine chloride (CID 175242884) is 1-phenylpyridin-1-ium-2-amine chloride.
What is the SMILES notation for 1-phenylpyridin-1-ium-2-amine chloride?
The canonical SMILES for 1-phenylpyridin-1-ium-2-amine chloride is Nc1cccc[n+]1-c1ccccc1.[Cl-].
What is the InChIKey of 1-phenylpyridin-1-ium-2-amine chloride?
The InChIKey is RCATVGAOUVHVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.ClH/c12-11-8-4-5-9-13(11)10-6-2-1-3-7-10;/h1-9,12H;1H.
What are the key properties of 1-phenylpyridin-1-ium-2-amine chloride?
1-phenylpyridin-1-ium-2-amine chloride has a molecular weight of 206.68 g/mol, XLogP of -1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyridin-1-ium-2-amine chloride is sourced from PubChem (CID 175242884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).