ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol

C7H16NOP — CID 142209424

IUPACethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol
SMILESCC.OC1=CCN(P)CC1
InChIInChI=1S/C5H10NOP.C2H6/c7-5-1-3-6(8)4-2-5;1-2/h1,7H,2-4,8H2;1-2H3
InChIKeyAXJVWLIJBXQHNG-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.95
Rot. Bonds

About ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol

ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol (PubChem CID 142209424) has the molecular formula C7H16NOP and a molecular weight of 161.19 g/mol. Its IUPAC name is ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol.

Molecular Properties

Compound Nameethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol
PubChem CID142209424
Molecular FormulaC7H16NOP
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Nameethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol
SMILESCC.OC1=CCN(P)CC1
InChIInChI=1S/C5H10NOP.C2H6/c7-5-1-3-6(8)4-2-5;1-2/h1,7H,2-4,8H2;1-2H3
InChIKeyAXJVWLIJBXQHNG-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,6-Tetrahydro-1-methyl-4-pyridinol
CID 10034611
1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-ol
CID 59019098
(2R)-2-methyl-1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol
CID 89093254
1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol
CID 89186862

Frequently Asked Questions

What is the IUPAC name of ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol?
The IUPAC name of ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol (CID 142209424) is ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol.
What is the SMILES notation for ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol?
The canonical SMILES for ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol is CC.OC1=CCN(P)CC1.
What is the InChIKey of ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol?
The InChIKey is AXJVWLIJBXQHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NOP.C2H6/c7-5-1-3-6(8)4-2-5;1-2/h1,7H,2-4,8H2;1-2H3.
What are the key properties of ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol?
ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol has a molecular weight of 161.19 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phosphanyl-3,6-dihydro-2H-pyridin-4-ol is sourced from PubChem (CID 142209424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).