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

C6H10Br2N2O — CID 47002865

IUPAC4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
SMILESBr.Br.NCc1cc[nH]c(=O)c1
InChIInChI=1S/C6H8N2O.2BrH/c7-4-5-1-2-8-6(9)3-5;;/h1-3H,4,7H2,(H,8,9);2*1H
InChIKeyRZKRKAZDYQRCJV-UHFFFAOYSA-N
MW285.97 g/mol
LogP0.99
Rot. Bonds1

About 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide

4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide (PubChem CID 47002865) has the molecular formula C6H10Br2N2O and a molecular weight of 285.97 g/mol. Its IUPAC name is 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide.

Molecular Properties

Compound Name4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
PubChem CID47002865
Molecular FormulaC6H10Br2N2O
Molecular Weight285.97 g/mol
Exact Mass283.92
IUPAC Name4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide
SMILESBr.Br.NCc1cc[nH]c(=O)c1
InChIInChI=1S/C6H8N2O.2BrH/c7-4-5-1-2-8-6(9)3-5;;/h1-3H,4,7H2,(H,8,9);2*1H
InChIKeyRZKRKAZDYQRCJV-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 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide?
The IUPAC name of 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide (CID 47002865) is 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide.
What is the SMILES notation for 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide?
The canonical SMILES for 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide is Br.Br.NCc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide?
The InChIKey is RZKRKAZDYQRCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.2BrH/c7-4-5-1-2-8-6(9)3-5;;/h1-3H,4,7H2,(H,8,9);2*1H.
What are the key properties of 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide?
4-(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 4-(aminomethyl)-1H-pyridin-2-one;dihydrobromide is sourced from PubChem (CID 47002865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).