acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid

C11H15N2O5P — CID 167153787

IUPACacetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid
SMILESCC(=O)OCOP(=O)(O)c1ccc2c(n1)CCNC2
InChIInChI=1S/C11H15N2O5P/c1-8(14)17-7-18-19(15,16)11-3-2-9-6-12-5-4-10(9)13-11/h2-3,12H,4-7H2,1H3,(H,15,16)
InChIKeyVONSELWKCPASHC-UHFFFAOYSA-N
MW286.22 g/mol
LogP0.08
Rot. Bonds4

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

acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid (PubChem CID 167153787) has the molecular formula C11H15N2O5P and a molecular weight of 286.22 g/mol. Its IUPAC name is acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid.

Molecular Properties

Compound Nameacetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid
PubChem CID167153787
Molecular FormulaC11H15N2O5P
Molecular Weight286.22 g/mol
Exact Mass286.07
IUPAC Nameacetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid
SMILESCC(=O)OCOP(=O)(O)c1ccc2c(n1)CCNC2
InChIInChI=1S/C11H15N2O5P/c1-8(14)17-7-18-19(15,16)11-3-2-9-6-12-5-4-10(9)13-11/h2-3,12H,4-7H2,1H3,(H,15,16)
InChIKeyVONSELWKCPASHC-UHFFFAOYSA-N
XLogP0.08
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrate
CID 169223046
3-hydroxypropoxymethyl 5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylate
CID 175591694
1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105444993
N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepine-2-carboxamide
CID 170622526
1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105464586
2-(4-chlorophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91117667
acetamide;1,2,3,4-tetrahydroisoquinoline
CID 67612975
methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 141442013
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate;hydrochloride
CID 68822583
2-(4-fluorophenoxy)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 122460375
8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 82471113
3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide
CID 68680322

Frequently Asked Questions

What is the IUPAC name of acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid?
The IUPAC name of acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid (CID 167153787) is acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid.
What is the SMILES notation for acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid?
The canonical SMILES for acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid is CC(=O)OCOP(=O)(O)c1ccc2c(n1)CCNC2.
What is the InChIKey of acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid?
The InChIKey is VONSELWKCPASHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O5P/c1-8(14)17-7-18-19(15,16)11-3-2-9-6-12-5-4-10(9)13-11/h2-3,12H,4-7H2,1H3,(H,15,16).
What are the key properties of acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid?
acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid has a molecular weight of 286.22 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethoxy(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphinic acid is sourced from PubChem (CID 167153787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).