3H-pyridin-4-one;hydrochloride

C5H6ClNO — CID 22446131

IUPAC3H-pyridin-4-one;hydrochloride
SMILESCl.O=C1C=CN=CC1
InChIInChI=1S/C5H5NO.ClH/c7-5-1-3-6-4-2-5;/h1,3-4H,2H2;1H
InChIKeyGJCGNOASKDNXFL-UHFFFAOYSA-N
MW131.56 g/mol
LogP0.97
Rot. Bonds

About 3H-pyridin-4-one;hydrochloride

3H-pyridin-4-one;hydrochloride (PubChem CID 22446131) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 3H-pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name3H-pyridin-4-one;hydrochloride
PubChem CID22446131
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name3H-pyridin-4-one;hydrochloride
SMILESCl.O=C1C=CN=CC1
InChIInChI=1S/C5H5NO.ClH/c7-5-1-3-6-4-2-5;/h1,3-4H,2H2;1H
InChIKeyGJCGNOASKDNXFL-UHFFFAOYSA-N
XLogP0.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-pyridin-4-one;hydrochloride?
The IUPAC name of 3H-pyridin-4-one;hydrochloride (CID 22446131) is 3H-pyridin-4-one;hydrochloride.
What is the SMILES notation for 3H-pyridin-4-one;hydrochloride?
The canonical SMILES for 3H-pyridin-4-one;hydrochloride is Cl.O=C1C=CN=CC1.
What is the InChIKey of 3H-pyridin-4-one;hydrochloride?
The InChIKey is GJCGNOASKDNXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.ClH/c7-5-1-3-6-4-2-5;/h1,3-4H,2H2;1H.
What are the key properties of 3H-pyridin-4-one;hydrochloride?
3H-pyridin-4-one;hydrochloride has a molecular weight of 131.56 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridin-4-one;hydrochloride is sourced from PubChem (CID 22446131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).