7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine

C13H11ClF2N2O2 — CID 168932255

IUPAC7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine
SMILESFC(F)c1cc2cnc(Cl)cc2c(O[C@@H]2CCOC2)n1
InChIInChI=1S/C13H11ClF2N2O2/c14-11-4-9-7(5-17-11)3-10(12(15)16)18-13(9)20-8-1-2-19-6-8/h3-5,8,12H,1-2,6H2/t8-/m1/s1
InChIKeyNXIPFRWAGKFYBV-MRVPVSSYSA-N
MW300.69 g/mol
LogP3.39
Rot. Bonds3

About 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine

7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine (PubChem CID 168932255) has the molecular formula C13H11ClF2N2O2 and a molecular weight of 300.69 g/mol. Its IUPAC name is 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine.

Molecular Properties

Compound Name7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine
PubChem CID168932255
Molecular FormulaC13H11ClF2N2O2
Molecular Weight300.69 g/mol
Exact Mass300.05
IUPAC Name7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine
SMILESFC(F)c1cc2cnc(Cl)cc2c(O[C@@H]2CCOC2)n1
InChIInChI=1S/C13H11ClF2N2O2/c14-11-4-9-7(5-17-11)3-10(12(15)16)18-13(9)20-8-1-2-19-6-8/h3-5,8,12H,1-2,6H2/t8-/m1/s1
InChIKeyNXIPFRWAGKFYBV-MRVPVSSYSA-N
XLogP3.39
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.69
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine?
The IUPAC name of 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine (CID 168932255) is 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine.
What is the SMILES notation for 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine?
The canonical SMILES for 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine is FC(F)c1cc2cnc(Cl)cc2c(O[C@@H]2CCOC2)n1.
What is the InChIKey of 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine?
The InChIKey is NXIPFRWAGKFYBV-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O2/c14-11-4-9-7(5-17-11)3-10(12(15)16)18-13(9)20-8-1-2-19-6-8/h3-5,8,12H,1-2,6H2/t8-/m1/s1.
What are the key properties of 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine?
7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine has a molecular weight of 300.69 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(difluoromethyl)-1-[(3R)-oxolan-3-yl]oxy-2,6-naphthyridine is sourced from PubChem (CID 168932255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).