1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol

C13H13ClN2O3 — CID 166484349

IUPAC1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol
SMILESCC(O)(O)c1cnc(OC2CC2)c2cnc(Cl)cc12
InChIInChI=1S/C13H13ClN2O3/c1-13(17,18)10-6-16-12(19-7-2-3-7)9-5-15-11(14)4-8(9)10/h4-7,17-18H,2-3H2,1H3
InChIKeyRMPWBMCXAWMLEN-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.98
Rot. Bonds3

About 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol

1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol (PubChem CID 166484349) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol.

Molecular Properties

Compound Name1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol
PubChem CID166484349
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol
SMILESCC(O)(O)c1cnc(OC2CC2)c2cnc(Cl)cc12
InChIInChI=1S/C13H13ClN2O3/c1-13(17,18)10-6-16-12(19-7-2-3-7)9-5-15-11(14)4-8(9)10/h4-7,17-18H,2-3H2,1H3
InChIKeyRMPWBMCXAWMLEN-UHFFFAOYSA-N
XLogP1.98
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol?
The IUPAC name of 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol (CID 166484349) is 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol.
What is the SMILES notation for 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol?
The canonical SMILES for 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol is CC(O)(O)c1cnc(OC2CC2)c2cnc(Cl)cc12.
What is the InChIKey of 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol?
The InChIKey is RMPWBMCXAWMLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-13(17,18)10-6-16-12(19-7-2-3-7)9-5-15-11(14)4-8(9)10/h4-7,17-18H,2-3H2,1H3.
What are the key properties of 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol?
1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol has a molecular weight of 280.71 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-cyclopropyloxy-2,7-naphthyridin-4-yl)ethane-1,1-diol is sourced from PubChem (CID 166484349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).