3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide

C12H13BrN2O2 — CID 68514445

IUPAC3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide
SMILESNc1cccn(OCc2ccccc2)c1=O.[Br-].[H+]
InChIInChI=1S/C12H12N2O2.BrH/c13-11-7-4-8-14(12(11)15)16-9-10-5-2-1-3-6-10;/h1-8H,9,13H2;1H
InChIKeyVZMFEXGENQYTOO-UHFFFAOYSA-N
MW297.15 g/mol
LogP-1.82
Rot. Bonds3

About 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide

3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide (PubChem CID 68514445) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide.

Molecular Properties

Compound Name3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide
PubChem CID68514445
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide
SMILESNc1cccn(OCc2ccccc2)c1=O.[Br-].[H+]
InChIInChI=1S/C12H12N2O2.BrH/c13-11-7-4-8-14(12(11)15)16-9-10-5-2-1-3-6-10;/h1-8H,9,13H2;1H
InChIKeyVZMFEXGENQYTOO-UHFFFAOYSA-N
XLogP-1.82
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide?
The IUPAC name of 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide (CID 68514445) is 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide.
What is the SMILES notation for 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide?
The canonical SMILES for 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide is Nc1cccn(OCc2ccccc2)c1=O.[Br-].[H+].
What is the InChIKey of 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide?
The InChIKey is VZMFEXGENQYTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.BrH/c13-11-7-4-8-14(12(11)15)16-9-10-5-2-1-3-6-10;/h1-8H,9,13H2;1H.
What are the key properties of 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide?
3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide has a molecular weight of 297.15 g/mol, XLogP of -1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenylmethoxypyridin-2-one;hydron;bromide is sourced from PubChem (CID 68514445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).