3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride

C7H12Cl2N2O — CID 86811591

IUPAC3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride
SMILESCc1ccc(CN)c(=O)[nH]1.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c1-5-2-3-6(4-8)7(10)9-5;;/h2-3H,4,8H2,1H3,(H,9,10);2*1H
InChIKeyRPDRGVCSWMXVQB-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.99
Rot. Bonds1

About 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride

3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride (PubChem CID 86811591) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride
PubChem CID86811591
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride
SMILESCc1ccc(CN)c(=O)[nH]1.Cl.Cl
InChIInChI=1S/C7H10N2O.2ClH/c1-5-2-3-6(4-8)7(10)9-5;;/h2-3H,4,8H2,1H3,(H,9,10);2*1H
InChIKeyRPDRGVCSWMXVQB-UHFFFAOYSA-N
XLogP0.99
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride?
The IUPAC name of 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride (CID 86811591) is 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride.
What is the SMILES notation for 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride?
The canonical SMILES for 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride is Cc1ccc(CN)c(=O)[nH]1.Cl.Cl.
What is the InChIKey of 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride?
The InChIKey is RPDRGVCSWMXVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c1-5-2-3-6(4-8)7(10)9-5;;/h2-3H,4,8H2,1H3,(H,9,10);2*1H.
What are the key properties of 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride?
3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride has a molecular weight of 211.09 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 3-(aminomethyl)-6-methyl-1H-pyridin-2-one;dihydrochloride is sourced from PubChem (CID 86811591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).