phosphanyl(pyridin-2-yl)methanone

C6H6NOP — CID 89397457

IUPACphosphanyl(pyridin-2-yl)methanone
SMILESO=C(P)c1ccccn1
InChIInChI=1S/C6H6NOP/c8-6(9)5-3-1-2-4-7-5/h1-4H,9H2
InChIKeyAUYODELIGFUUGB-UHFFFAOYSA-N
MW139.09 g/mol
LogP1.10
Rot. Bonds1

About phosphanyl(pyridin-2-yl)methanone

phosphanyl(pyridin-2-yl)methanone (PubChem CID 89397457) has the molecular formula C6H6NOP and a molecular weight of 139.09 g/mol. Its IUPAC name is phosphanyl(pyridin-2-yl)methanone.

Molecular Properties

Compound Namephosphanyl(pyridin-2-yl)methanone
PubChem CID89397457
Molecular FormulaC6H6NOP
Molecular Weight139.09 g/mol
Exact Mass139.02
IUPAC Namephosphanyl(pyridin-2-yl)methanone
SMILESO=C(P)c1ccccn1
InChIInChI=1S/C6H6NOP/c8-6(9)5-3-1-2-4-7-5/h1-4H,9H2
InChIKeyAUYODELIGFUUGB-UHFFFAOYSA-N
XLogP1.10
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
gadolinium;pyridine-2-carboxylic acid
CID 175231422
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
pyridine-2-carbothioic S-acid
CID 158789814
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609
zinc bis(pyridine-2-carbothioate)
CID 118879777

Frequently Asked Questions

What is the IUPAC name of phosphanyl(pyridin-2-yl)methanone?
The IUPAC name of phosphanyl(pyridin-2-yl)methanone (CID 89397457) is phosphanyl(pyridin-2-yl)methanone.
What is the SMILES notation for phosphanyl(pyridin-2-yl)methanone?
The canonical SMILES for phosphanyl(pyridin-2-yl)methanone is O=C(P)c1ccccn1.
What is the InChIKey of phosphanyl(pyridin-2-yl)methanone?
The InChIKey is AUYODELIGFUUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NOP/c8-6(9)5-3-1-2-4-7-5/h1-4H,9H2.
What are the key properties of phosphanyl(pyridin-2-yl)methanone?
phosphanyl(pyridin-2-yl)methanone has a molecular weight of 139.09 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl(pyridin-2-yl)methanone is sourced from PubChem (CID 89397457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).