2-amino-1H-pyridin-4-one;hydrochloride

C5H7ClN2O — CID 46835443

IUPAC2-amino-1H-pyridin-4-one;hydrochloride
SMILESCl.Nc1cc(=O)cc[nH]1
InChIInChI=1S/C5H6N2O.ClH/c6-5-3-4(8)1-2-7-5;/h1-3H,(H3,6,7,8);1H
InChIKeyDEVWTUWLHTYPTL-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.38
Rot. Bonds

About 2-amino-1H-pyridin-4-one;hydrochloride

2-amino-1H-pyridin-4-one;hydrochloride (PubChem CID 46835443) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 2-amino-1H-pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1H-pyridin-4-one;hydrochloride
PubChem CID46835443
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name2-amino-1H-pyridin-4-one;hydrochloride
SMILESCl.Nc1cc(=O)cc[nH]1
InChIInChI=1S/C5H6N2O.ClH/c6-5-3-4(8)1-2-7-5;/h1-3H,(H3,6,7,8);1H
InChIKeyDEVWTUWLHTYPTL-UHFFFAOYSA-N
XLogP0.38
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxypyridine
CID 12290
3-Aminopyridin-4-ol
CID 233392
2-Chloro-4(1H)-pyridinone
CID 87010
2-Aminopyridin-4-ol
CID 820936
2-Fluoropyridin-4-ol
CID 2762834
3-Chloro-4-hydroxypyridine
CID 2762929
Imidazo(1,2-a)pyridin-7-ol hydrochloride
CID 137964612
Pyridin-4(1H)-one--water (1/1)
CID 19773970
CID 53435124
CID 53435124
4-Pyridone hydrochloride
CID 12219127
2-Amino-5-chloropyridin-4-ol
CID 44887002
4-Pyridone-carboxamide
CID 57052269

Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-pyridin-4-one;hydrochloride?
The IUPAC name of 2-amino-1H-pyridin-4-one;hydrochloride (CID 46835443) is 2-amino-1H-pyridin-4-one;hydrochloride.
What is the SMILES notation for 2-amino-1H-pyridin-4-one;hydrochloride?
The canonical SMILES for 2-amino-1H-pyridin-4-one;hydrochloride is Cl.Nc1cc(=O)cc[nH]1.
What is the InChIKey of 2-amino-1H-pyridin-4-one;hydrochloride?
The InChIKey is DEVWTUWLHTYPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.ClH/c6-5-3-4(8)1-2-7-5;/h1-3H,(H3,6,7,8);1H.
What are the key properties of 2-amino-1H-pyridin-4-one;hydrochloride?
2-amino-1H-pyridin-4-one;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1H-pyridin-4-one;hydrochloride is sourced from PubChem (CID 46835443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).