2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride

C16H20ClN2O2P — CID 164562961

IUPAC2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride
SMILESCl.O=P(O)(CCc1ccccc1)c1ccc2c(n1)CCNC2
InChIInChI=1S/C16H19N2O2P.ClH/c19-21(20,11-9-13-4-2-1-3-5-13)16-7-6-14-12-17-10-8-15(14)18-16;/h1-7,17H,8-12H2,(H,19,20);1H
InChIKeyYYRXMUXVFGFSPZ-UHFFFAOYSA-N
MW338.77 g/mol
LogP2.29
Rot. Bonds4

About 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride

2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride (PubChem CID 164562961) has the molecular formula C16H20ClN2O2P and a molecular weight of 338.77 g/mol. Its IUPAC name is 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride.

Molecular Properties

Compound Name2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride
PubChem CID164562961
Molecular FormulaC16H20ClN2O2P
Molecular Weight338.77 g/mol
Exact Mass338.10
IUPAC Name2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride
SMILESCl.O=P(O)(CCc1ccccc1)c1ccc2c(n1)CCNC2
InChIInChI=1S/C16H19N2O2P.ClH/c19-21(20,11-9-13-4-2-1-3-5-13)16-7-6-14-12-17-10-8-15(14)18-16;/h1-7,17H,8-12H2,(H,19,20);1H
InChIKeyYYRXMUXVFGFSPZ-UHFFFAOYSA-N
XLogP2.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride?
The IUPAC name of 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride (CID 164562961) is 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride.
What is the SMILES notation for 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride?
The canonical SMILES for 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride is Cl.O=P(O)(CCc1ccccc1)c1ccc2c(n1)CCNC2.
What is the InChIKey of 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride?
The InChIKey is YYRXMUXVFGFSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2O2P.ClH/c19-21(20,11-9-13-4-2-1-3-5-13)16-7-6-14-12-17-10-8-15(14)18-16;/h1-7,17H,8-12H2,(H,19,20);1H.
What are the key properties of 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride?
2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride has a molecular weight of 338.77 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride is sourced from PubChem (CID 164562961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).