[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol

C15H17ClFN3O — CID 166547095

IUPAC[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol
SMILESCC(C)c1cnc(N2CC(F)(CO)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H17ClFN3O/c1-9(2)11-4-19-14(20-6-15(17,7-20)8-21)12-5-18-13(16)3-10(11)12/h3-5,9,21H,6-8H2,1-2H3
InChIKeyPGZOXGHPOPSMCP-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.93
Rot. Bonds3

About [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol

[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol (PubChem CID 166547095) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol
PubChem CID166547095
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol
SMILESCC(C)c1cnc(N2CC(F)(CO)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H17ClFN3O/c1-9(2)11-4-19-14(20-6-15(17,7-20)8-21)12-5-18-13(16)3-10(11)12/h3-5,9,21H,6-8H2,1-2H3
InChIKeyPGZOXGHPOPSMCP-UHFFFAOYSA-N
XLogP2.93
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
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 [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol?
The IUPAC name of [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol (CID 166547095) is [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol.
What is the SMILES notation for [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol?
The canonical SMILES for [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol is CC(C)c1cnc(N2CC(F)(CO)C2)c2cnc(Cl)cc12.
What is the InChIKey of [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol?
The InChIKey is PGZOXGHPOPSMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-9(2)11-4-19-14(20-6-15(17,7-20)8-21)12-5-18-13(16)3-10(11)12/h3-5,9,21H,6-8H2,1-2H3.
What are the key properties of [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol?
[1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol has a molecular weight of 309.77 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-3-fluoroazetidin-3-yl]methanol is sourced from PubChem (CID 166547095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).