5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide

C6H10Br2N2O — CID 54594095

IUPAC5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
SMILESBr.Br.NCc1ccc(=O)[nH]c1
InChIInChI=1S/C6H8N2O.2BrH/c7-3-5-1-2-6(9)8-4-5;;/h1-2,4H,3,7H2,(H,8,9);2*1H
InChIKeyKCYAUNMGRZVUMV-UHFFFAOYSA-N
MW285.97 g/mol
LogP0.99
Rot. Bonds1

About 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide

5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide (PubChem CID 54594095) has the molecular formula C6H10Br2N2O and a molecular weight of 285.97 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
PubChem CID54594095
Molecular FormulaC6H10Br2N2O
Molecular Weight285.97 g/mol
Exact Mass283.92
IUPAC Name5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
SMILESBr.Br.NCc1ccc(=O)[nH]c1
InChIInChI=1S/C6H8N2O.2BrH/c7-3-5-1-2-6(9)8-4-5;;/h1-2,4H,3,7H2,(H,8,9);2*1H
InChIKeyKCYAUNMGRZVUMV-UHFFFAOYSA-N
XLogP0.99
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.97
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide?
The IUPAC name of 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide (CID 54594095) is 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide.
What is the SMILES notation for 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide?
The canonical SMILES for 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide is Br.Br.NCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide?
The InChIKey is KCYAUNMGRZVUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.2BrH/c7-3-5-1-2-6(9)8-4-5;;/h1-2,4H,3,7H2,(H,8,9);2*1H.
What are the key properties of 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide?
5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide has a molecular weight of 285.97 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1H-pyridin-2-one;dihydrobromide is sourced from PubChem (CID 54594095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).