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

C5H6N2O — CID 820936

IUPAC2-amino-1H-pyridin-4-one
SMILESNc1cc(=O)cc[nH]1
InChIInChI=1S/C5H6N2O/c6-5-3-4(8)1-2-7-5/h1-3H,(H3,6,7,8)
InChIKeyHQNIMNQVKVPZES-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.04
Rot. Bonds

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

2-amino-1H-pyridin-4-one (PubChem CID 820936) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 2-amino-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-1H-pyridin-4-one
PubChem CID820936
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name2-amino-1H-pyridin-4-one
SMILESNc1cc(=O)cc[nH]1
InChIInChI=1S/C5H6N2O/c6-5-3-4(8)1-2-7-5/h1-3H,(H3,6,7,8)
InChIKeyHQNIMNQVKVPZES-UHFFFAOYSA-N
XLogP-0.04
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.04
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
3-Iodopyridin-4-Ol
CID 581196
(E)-4-Methylamino-but-3-en-2-one
CID 13010871
3-Buten-2-one, 4-(methylamino)-, (Z)-
CID 23278647
2-Fluoropyridin-4-ol
CID 2762834
2-Bromo-4-hydroxypyridine
CID 2762840
2-Nitro-4-pyridinol
CID 2762849
2-Aminopyridin-4-ol hydrochloride
CID 46835443
2-Amino-5-bromopyridin-4-ol
CID 53485751
Imidazo(1,2-a)pyridin-7-ol hydrochloride
CID 137964612

Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-pyridin-4-one?
The IUPAC name of 2-amino-1H-pyridin-4-one (CID 820936) is 2-amino-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-1H-pyridin-4-one?
The canonical SMILES for 2-amino-1H-pyridin-4-one is Nc1cc(=O)cc[nH]1.
What is the InChIKey of 2-amino-1H-pyridin-4-one?
The InChIKey is HQNIMNQVKVPZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c6-5-3-4(8)1-2-7-5/h1-3H,(H3,6,7,8).
What are the key properties of 2-amino-1H-pyridin-4-one?
2-amino-1H-pyridin-4-one has a molecular weight of 110.12 g/mol, XLogP of -0.04, 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 is sourced from PubChem (CID 820936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).