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

C11H18ClN2O3P — CID 164562917

IUPAC(7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride
SMILESCCCC1Cc2nc(P(=O)(O)O)ccc2CN1.Cl
InChIInChI=1S/C11H17N2O3P.ClH/c1-2-3-9-6-10-8(7-12-9)4-5-11(13-10)17(14,15)16;/h4-5,9,12H,2-3,6-7H2,1H3,(H2,14,15,16);1H
InChIKeyVELAFUQDJGRTTJ-UHFFFAOYSA-N
MW292.70 g/mol
LogP1.12
Rot. Bonds3

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

(7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride (PubChem CID 164562917) has the molecular formula C11H18ClN2O3P and a molecular weight of 292.70 g/mol. Its IUPAC name is (7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride.

Molecular Properties

Compound Name(7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride
PubChem CID164562917
Molecular FormulaC11H18ClN2O3P
Molecular Weight292.70 g/mol
Exact Mass292.07
IUPAC Name(7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride
SMILESCCCC1Cc2nc(P(=O)(O)O)ccc2CN1.Cl
InChIInChI=1S/C11H17N2O3P.ClH/c1-2-3-9-6-10-8(7-12-9)4-5-11(13-10)17(14,15)16;/h4-5,9,12H,2-3,6-7H2,1H3,(H2,14,15,16);1H
InChIKeyVELAFUQDJGRTTJ-UHFFFAOYSA-N
XLogP1.12
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 51.12
H-Bond Donors ≤ 53
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 (7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride?
The IUPAC name of (7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride (CID 164562917) is (7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride.
What is the SMILES notation for (7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride?
The canonical SMILES for (7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride is CCCC1Cc2nc(P(=O)(O)O)ccc2CN1.Cl.
What is the InChIKey of (7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride?
The InChIKey is VELAFUQDJGRTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O3P.ClH/c1-2-3-9-6-10-8(7-12-9)4-5-11(13-10)17(14,15)16;/h4-5,9,12H,2-3,6-7H2,1H3,(H2,14,15,16);1H.
What are the key properties of (7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride?
(7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride has a molecular weight of 292.70 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-propyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride is sourced from PubChem (CID 164562917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).