2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride

C13H14ClNO — CID 517812

IUPAC2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride
SMILESCc1cc(=O)cc(C)n1-c1ccccc1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-10-8-13(15)9-11(2)14(10)12-6-4-3-5-7-12;/h3-9H,1-2H3;1H
InChIKeyUDPOPNFRSFUXLN-UHFFFAOYSA-N
MW235.71 g/mol
LogP2.88
Rot. Bonds1

About 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride

2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride (PubChem CID 517812) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride
PubChem CID517812
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride
SMILESCc1cc(=O)cc(C)n1-c1ccccc1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-10-8-13(15)9-11(2)14(10)12-6-4-3-5-7-12;/h3-9H,1-2H3;1H
InChIKeyUDPOPNFRSFUXLN-UHFFFAOYSA-N
XLogP2.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride?
The IUPAC name of 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride (CID 517812) is 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride?
The canonical SMILES for 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride is Cc1cc(=O)cc(C)n1-c1ccccc1.Cl.
What is the InChIKey of 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride?
The InChIKey is UDPOPNFRSFUXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c1-10-8-13(15)9-11(2)14(10)12-6-4-3-5-7-12;/h3-9H,1-2H3;1H.
What are the key properties of 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride?
2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-phenylpyridin-4-one;hydrochloride is sourced from PubChem (CID 517812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).