1-(6-chloro-1,7-naphthyridin-3-yl)ethanol

C10H9ClN2O — CID 123460576

IUPAC1-(6-chloro-1,7-naphthyridin-3-yl)ethanol
SMILESCC(O)c1cnc2cnc(Cl)cc2c1
InChIInChI=1S/C10H9ClN2O/c1-6(14)8-2-7-3-10(11)13-5-9(7)12-4-8/h2-6,14H,1H3
InChIKeyPGVMSBZJLNGBDR-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.34
Rot. Bonds1

About 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol

1-(6-chloro-1,7-naphthyridin-3-yl)ethanol (PubChem CID 123460576) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol.

Molecular Properties

Compound Name1-(6-chloro-1,7-naphthyridin-3-yl)ethanol
PubChem CID123460576
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name1-(6-chloro-1,7-naphthyridin-3-yl)ethanol
SMILESCC(O)c1cnc2cnc(Cl)cc2c1
InChIInChI=1S/C10H9ClN2O/c1-6(14)8-2-7-3-10(11)13-5-9(7)12-4-8/h2-6,14H,1H3
InChIKeyPGVMSBZJLNGBDR-UHFFFAOYSA-N
XLogP2.34
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol?
The IUPAC name of 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol (CID 123460576) is 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol.
What is the SMILES notation for 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol?
The canonical SMILES for 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol is CC(O)c1cnc2cnc(Cl)cc2c1.
What is the InChIKey of 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol?
The InChIKey is PGVMSBZJLNGBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6(14)8-2-7-3-10(11)13-5-9(7)12-4-8/h2-6,14H,1H3.
What are the key properties of 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol?
1-(6-chloro-1,7-naphthyridin-3-yl)ethanol has a molecular weight of 208.65 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,7-naphthyridin-3-yl)ethanol is sourced from PubChem (CID 123460576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).