5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride

C8H12ClN2O3P — CID 164562933

IUPAC5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride
SMILESCl.O=P(O)(O)c1ccc2c(n1)CCNC2
InChIInChI=1S/C8H11N2O3P.ClH/c11-14(12,13)8-2-1-6-5-9-4-3-7(6)10-8;/h1-2,9H,3-5H2,(H2,11,12,13);1H
InChIKeyFFNVWGUUYOAHFL-UHFFFAOYSA-N
MW250.62 g/mol
LogP-0.05
Rot. Bonds1

About 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride

5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride (PubChem CID 164562933) has the molecular formula C8H12ClN2O3P and a molecular weight of 250.62 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride
PubChem CID164562933
Molecular FormulaC8H12ClN2O3P
Molecular Weight250.62 g/mol
Exact Mass250.03
IUPAC Name5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride
SMILESCl.O=P(O)(O)c1ccc2c(n1)CCNC2
InChIInChI=1S/C8H11N2O3P.ClH/c11-14(12,13)8-2-1-6-5-9-4-3-7(6)10-8;/h1-2,9H,3-5H2,(H2,11,12,13);1H
InChIKeyFFNVWGUUYOAHFL-UHFFFAOYSA-N
XLogP-0.05
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.62
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 44234513
CID 44234513
CID 13193882
CID 13193882
CID 13193879
CID 13193879
CID 18449165
CID 18449165
CID 22480852
CID 22480852
CID 57445256
CID 57445256
CID 164562917
CID 164562917
CID 164562949
CID 164562949
CID 164562957
CID 164562957
CID 164562961
CID 164562961
CID 164562974
CID 164562974
CID 164562982
CID 164562982

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride (CID 164562933) is 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride is Cl.O=P(O)(O)c1ccc2c(n1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride?
The InChIKey is FFNVWGUUYOAHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O3P.ClH/c11-14(12,13)8-2-1-6-5-9-4-3-7(6)10-8;/h1-2,9H,3-5H2,(H2,11,12,13);1H.
What are the key properties of 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride?
5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride has a molecular weight of 250.62 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1,6-naphthyridin-2-ylphosphonic acid;hydrochloride is sourced from PubChem (CID 164562933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).