3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol

C11H14N2O2 — CID 134407001

IUPAC3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol
SMILESOC(O)CCC1C=Cc2cccnc2N1
InChIInChI=1S/C11H14N2O2/c14-10(15)6-5-9-4-3-8-2-1-7-12-11(8)13-9/h1-4,7,9-10,14-15H,5-6H2,(H,12,13)
InChIKeyYJVWVYPOMDWUGG-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.98
Rot. Bonds3

About 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol

3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol (PubChem CID 134407001) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol.

Molecular Properties

Compound Name3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol
PubChem CID134407001
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol
SMILESOC(O)CCC1C=Cc2cccnc2N1
InChIInChI=1S/C11H14N2O2/c14-10(15)6-5-9-4-3-8-2-1-7-12-11(8)13-9/h1-4,7,9-10,14-15H,5-6H2,(H,12,13)
InChIKeyYJVWVYPOMDWUGG-UHFFFAOYSA-N
XLogP0.98
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol?
The IUPAC name of 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol (CID 134407001) is 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol.
What is the SMILES notation for 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol?
The canonical SMILES for 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol is OC(O)CCC1C=Cc2cccnc2N1.
What is the InChIKey of 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol?
The InChIKey is YJVWVYPOMDWUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10(15)6-5-9-4-3-8-2-1-7-12-11(8)13-9/h1-4,7,9-10,14-15H,5-6H2,(H,12,13).
What are the key properties of 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol?
3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol has a molecular weight of 206.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydro-1,8-naphthyridin-2-yl)propane-1,1-diol is sourced from PubChem (CID 134407001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).