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

C10H16ClN2O2P — CID 164562949

IUPACethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride
SMILESCCP(=O)(O)c1ccc2c(n1)CCNC2.Cl
InChIInChI=1S/C10H15N2O2P.ClH/c1-2-15(13,14)10-4-3-8-7-11-6-5-9(8)12-10;/h3-4,11H,2,5-7H2,1H3,(H,13,14);1H
InChIKeyXSFDWBAQRLZDLC-UHFFFAOYSA-N
MW262.68 g/mol
LogP1.06
Rot. Bonds2

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

ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride (PubChem CID 164562949) has the molecular formula C10H16ClN2O2P and a molecular weight of 262.68 g/mol. Its IUPAC name is ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride.

Molecular Properties

Compound Nameethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride
PubChem CID164562949
Molecular FormulaC10H16ClN2O2P
Molecular Weight262.68 g/mol
Exact Mass262.06
IUPAC Nameethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride
SMILESCCP(=O)(O)c1ccc2c(n1)CCNC2.Cl
InChIInChI=1S/C10H15N2O2P.ClH/c1-2-15(13,14)10-4-3-8-7-11-6-5-9(8)12-10;/h3-4,11H,2,5-7H2,1H3,(H,13,14);1H
InChIKeyXSFDWBAQRLZDLC-UHFFFAOYSA-N
XLogP1.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 51.06
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 ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride?
The IUPAC name of ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride (CID 164562949) is ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride.
What is the SMILES notation for ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride?
The canonical SMILES for ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride is CCP(=O)(O)c1ccc2c(n1)CCNC2.Cl.
What is the InChIKey of ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride?
The InChIKey is XSFDWBAQRLZDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O2P.ClH/c1-2-15(13,14)10-4-3-8-7-11-6-5-9(8)12-10;/h3-4,11H,2,5-7H2,1H3,(H,13,14);1H.
What are the key properties of ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride?
ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride has a molecular weight of 262.68 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid;hydrochloride is sourced from PubChem (CID 164562949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).