5-phenylpyridin-1-ium-2-amine

C11H11N2+ — CID 7009450

IUPAC5-phenylpyridin-1-ium-2-amine
SMILESNc1ccc(-c2ccccc2)c[nH+]1
InChIInChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)/p+1
InChIKeyOAPVIBHQRYFYSE-UHFFFAOYSA-O
MW171.22 g/mol
LogP1.75
Rot. Bonds1

About 5-phenylpyridin-1-ium-2-amine

5-phenylpyridin-1-ium-2-amine (PubChem CID 7009450) has the molecular formula C11H11N2+ and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-phenylpyridin-1-ium-2-amine.

Molecular Properties

Compound Name5-phenylpyridin-1-ium-2-amine
PubChem CID7009450
Molecular FormulaC11H11N2+
Molecular Weight171.22 g/mol
Exact Mass171.09
IUPAC Name5-phenylpyridin-1-ium-2-amine
SMILESNc1ccc(-c2ccccc2)c[nH+]1
InChIInChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)/p+1
InChIKeyOAPVIBHQRYFYSE-UHFFFAOYSA-O
XLogP1.75
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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benzene;tris(1,1'-biphenyl)
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1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
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1,1'-biphenyl;hydroiodide
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benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;indigane
CID 174363765
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507
CID 162140615
CID 162140615
CID 53446764
CID 53446764

Frequently Asked Questions

What is the IUPAC name of 5-phenylpyridin-1-ium-2-amine?
The IUPAC name of 5-phenylpyridin-1-ium-2-amine (CID 7009450) is 5-phenylpyridin-1-ium-2-amine.
What is the SMILES notation for 5-phenylpyridin-1-ium-2-amine?
The canonical SMILES for 5-phenylpyridin-1-ium-2-amine is Nc1ccc(-c2ccccc2)c[nH+]1.
What is the InChIKey of 5-phenylpyridin-1-ium-2-amine?
The InChIKey is OAPVIBHQRYFYSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H10N2/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H,(H2,12,13)/p+1.
What are the key properties of 5-phenylpyridin-1-ium-2-amine?
5-phenylpyridin-1-ium-2-amine has a molecular weight of 171.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyridin-1-ium-2-amine is sourced from PubChem (CID 7009450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).