2-amino-5-chloro-1H-pyridin-4-one

C5H5ClN2O — CID 44887002

IUPAC2-amino-5-chloro-1H-pyridin-4-one
SMILESNc1cc(=O)c(Cl)c[nH]1
InChIInChI=1S/C5H5ClN2O/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H3,7,8,9)
InChIKeyFFQWATRBGHOQBG-UHFFFAOYSA-N
MW144.56 g/mol
LogP0.61
Rot. Bonds

About 2-amino-5-chloro-1H-pyridin-4-one

2-amino-5-chloro-1H-pyridin-4-one (PubChem CID 44887002) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 2-amino-5-chloro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-amino-5-chloro-1H-pyridin-4-one
PubChem CID44887002
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name2-amino-5-chloro-1H-pyridin-4-one
SMILESNc1cc(=O)c(Cl)c[nH]1
InChIInChI=1S/C5H5ClN2O/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H3,7,8,9)
InChIKeyFFQWATRBGHOQBG-UHFFFAOYSA-N
XLogP0.61
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-1H-pyridin-4-one?
The IUPAC name of 2-amino-5-chloro-1H-pyridin-4-one (CID 44887002) is 2-amino-5-chloro-1H-pyridin-4-one.
What is the SMILES notation for 2-amino-5-chloro-1H-pyridin-4-one?
The canonical SMILES for 2-amino-5-chloro-1H-pyridin-4-one is Nc1cc(=O)c(Cl)c[nH]1.
What is the InChIKey of 2-amino-5-chloro-1H-pyridin-4-one?
The InChIKey is FFQWATRBGHOQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c6-3-2-8-5(7)1-4(3)9/h1-2H,(H3,7,8,9).
What are the key properties of 2-amino-5-chloro-1H-pyridin-4-one?
2-amino-5-chloro-1H-pyridin-4-one has a molecular weight of 144.56 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-1H-pyridin-4-one is sourced from PubChem (CID 44887002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).