4-amino-3,5-dichloro-1H-pyridin-2-one

C5H4Cl2N2O — CID 13255534

IUPAC4-amino-3,5-dichloro-1H-pyridin-2-one
SMILESNc1c(Cl)c[nH]c(=O)c1Cl
InChIInChI=1S/C5H4Cl2N2O/c6-2-1-9-5(10)3(7)4(2)8/h1H,(H3,8,9,10)
InChIKeyBDUMSBSZPZADLU-UHFFFAOYSA-N
MW179.01 g/mol
LogP1.26
Rot. Bonds

About 4-amino-3,5-dichloro-1H-pyridin-2-one

4-amino-3,5-dichloro-1H-pyridin-2-one (PubChem CID 13255534) has the molecular formula C5H4Cl2N2O and a molecular weight of 179.01 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-amino-3,5-dichloro-1H-pyridin-2-one
PubChem CID13255534
Molecular FormulaC5H4Cl2N2O
Molecular Weight179.01 g/mol
Exact Mass177.97
IUPAC Name4-amino-3,5-dichloro-1H-pyridin-2-one
SMILESNc1c(Cl)c[nH]c(=O)c1Cl
InChIInChI=1S/C5H4Cl2N2O/c6-2-1-9-5(10)3(7)4(2)8/h1H,(H3,8,9,10)
InChIKeyBDUMSBSZPZADLU-UHFFFAOYSA-N
XLogP1.26
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-1H-pyridin-2-one?
The IUPAC name of 4-amino-3,5-dichloro-1H-pyridin-2-one (CID 13255534) is 4-amino-3,5-dichloro-1H-pyridin-2-one.
What is the SMILES notation for 4-amino-3,5-dichloro-1H-pyridin-2-one?
The canonical SMILES for 4-amino-3,5-dichloro-1H-pyridin-2-one is Nc1c(Cl)c[nH]c(=O)c1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-1H-pyridin-2-one?
The InChIKey is BDUMSBSZPZADLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2O/c6-2-1-9-5(10)3(7)4(2)8/h1H,(H3,8,9,10).
What are the key properties of 4-amino-3,5-dichloro-1H-pyridin-2-one?
4-amino-3,5-dichloro-1H-pyridin-2-one has a molecular weight of 179.01 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-1H-pyridin-2-one is sourced from PubChem (CID 13255534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).