2-chloro-6-(phosphanylamino)-1H-pyridin-4-one

C5H6ClN2OP — CID 145487630

IUPAC2-chloro-6-(phosphanylamino)-1H-pyridin-4-one
SMILESO=c1cc(Cl)[nH]c(NP)c1
InChIInChI=1S/C5H6ClN2OP/c6-4-1-3(9)2-5(7-4)8-10/h1-2H,10H2,(H2,7,8,9)
InChIKeyBJMMSRRFJKUHRT-UHFFFAOYSA-N
MW176.54 g/mol
LogP1.23
Rot. Bonds1

About 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one

2-chloro-6-(phosphanylamino)-1H-pyridin-4-one (PubChem CID 145487630) has the molecular formula C5H6ClN2OP and a molecular weight of 176.54 g/mol. Its IUPAC name is 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-chloro-6-(phosphanylamino)-1H-pyridin-4-one
PubChem CID145487630
Molecular FormulaC5H6ClN2OP
Molecular Weight176.54 g/mol
Exact Mass175.99
IUPAC Name2-chloro-6-(phosphanylamino)-1H-pyridin-4-one
SMILESO=c1cc(Cl)[nH]c(NP)c1
InChIInChI=1S/C5H6ClN2OP/c6-4-1-3(9)2-5(7-4)8-10/h1-2H,10H2,(H2,7,8,9)
InChIKeyBJMMSRRFJKUHRT-UHFFFAOYSA-N
XLogP1.23
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.54
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one?
The IUPAC name of 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one (CID 145487630) is 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one.
What is the SMILES notation for 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one?
The canonical SMILES for 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one is O=c1cc(Cl)[nH]c(NP)c1.
What is the InChIKey of 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one?
The InChIKey is BJMMSRRFJKUHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN2OP/c6-4-1-3(9)2-5(7-4)8-10/h1-2H,10H2,(H2,7,8,9).
What are the key properties of 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one?
2-chloro-6-(phosphanylamino)-1H-pyridin-4-one has a molecular weight of 176.54 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(phosphanylamino)-1H-pyridin-4-one is sourced from PubChem (CID 145487630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).