1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol

C11H13N2OP — CID 20824336

IUPAC1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1ccc2c(n1)N(P)CCC2
InChIInChI=1S/C11H13N2OP/c1-2-10(14)9-6-5-8-4-3-7-13(15)11(8)12-9/h1,5-6,10,14H,3-4,7,15H2
InChIKeyPFZZDAYEOCALES-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.29
Rot. Bonds1

About 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol

1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol (PubChem CID 20824336) has the molecular formula C11H13N2OP and a molecular weight of 220.21 g/mol. Its IUPAC name is 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol
PubChem CID20824336
Molecular FormulaC11H13N2OP
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Name1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1ccc2c(n1)N(P)CCC2
InChIInChI=1S/C11H13N2OP/c1-2-10(14)9-6-5-8-4-3-7-13(15)11(8)12-9/h1,5-6,10,14H,3-4,7,15H2
InChIKeyPFZZDAYEOCALES-UHFFFAOYSA-N
XLogP1.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol (CID 20824336) is 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol is C#CC(O)c1ccc2c(n1)N(P)CCC2.
What is the InChIKey of 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol?
The InChIKey is PFZZDAYEOCALES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N2OP/c1-2-10(14)9-6-5-8-4-3-7-13(15)11(8)12-9/h1,5-6,10,14H,3-4,7,15H2.
What are the key properties of 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol?
1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol has a molecular weight of 220.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-phosphanyl-6,7-dihydro-5H-1,8-naphthyridin-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 20824336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).