1,2-dihydropyridin-5-yl(phosphanyl)methanol

C6H10NOP — CID 155207299

IUPAC1,2-dihydropyridin-5-yl(phosphanyl)methanol
SMILESOC(P)C1=CNCC=C1
InChIInChI=1S/C6H10NOP/c8-6(9)5-2-1-3-7-4-5/h1-2,4,6-8H,3,9H2
InChIKeyDMIANHPHNKEVKN-UHFFFAOYSA-N
MW143.13 g/mol
LogP0.22
Rot. Bonds1

About 1,2-dihydropyridin-5-yl(phosphanyl)methanol

1,2-dihydropyridin-5-yl(phosphanyl)methanol (PubChem CID 155207299) has the molecular formula C6H10NOP and a molecular weight of 143.13 g/mol. Its IUPAC name is 1,2-dihydropyridin-5-yl(phosphanyl)methanol.

Molecular Properties

Compound Name1,2-dihydropyridin-5-yl(phosphanyl)methanol
PubChem CID155207299
Molecular FormulaC6H10NOP
Molecular Weight143.13 g/mol
Exact Mass143.05
IUPAC Name1,2-dihydropyridin-5-yl(phosphanyl)methanol
SMILESOC(P)C1=CNCC=C1
InChIInChI=1S/C6H10NOP/c8-6(9)5-2-1-3-7-4-5/h1-2,4,6-8H,3,9H2
InChIKeyDMIANHPHNKEVKN-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.13
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-5-yl(phosphanyl)methanol?
The IUPAC name of 1,2-dihydropyridin-5-yl(phosphanyl)methanol (CID 155207299) is 1,2-dihydropyridin-5-yl(phosphanyl)methanol.
What is the SMILES notation for 1,2-dihydropyridin-5-yl(phosphanyl)methanol?
The canonical SMILES for 1,2-dihydropyridin-5-yl(phosphanyl)methanol is OC(P)C1=CNCC=C1.
What is the InChIKey of 1,2-dihydropyridin-5-yl(phosphanyl)methanol?
The InChIKey is DMIANHPHNKEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NOP/c8-6(9)5-2-1-3-7-4-5/h1-2,4,6-8H,3,9H2.
What are the key properties of 1,2-dihydropyridin-5-yl(phosphanyl)methanol?
1,2-dihydropyridin-5-yl(phosphanyl)methanol has a molecular weight of 143.13 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-5-yl(phosphanyl)methanol is sourced from PubChem (CID 155207299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).