2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol

C15H15ClFN3O — CID 166546811

IUPAC2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol
SMILESC=C(CO)c1cnc(N2C[C@@H](F)[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C15H15ClFN3O/c1-8(7-21)11-4-19-15(20-6-13(17)9(20)2)12-5-18-14(16)3-10(11)12/h3-5,9,13,21H,1,6-7H2,2H3/t9-,13-/m1/s1
InChIKeyUGCFUQUOYUPUFE-NOZJJQNGSA-N
MW307.76 g/mol
LogP2.84
Rot. Bonds3

About 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol

2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol (PubChem CID 166546811) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol
PubChem CID166546811
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol
SMILESC=C(CO)c1cnc(N2C[C@@H](F)[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C15H15ClFN3O/c1-8(7-21)11-4-19-15(20-6-13(17)9(20)2)12-5-18-14(16)3-10(11)12/h3-5,9,13,21H,1,6-7H2,2H3/t9-,13-/m1/s1
InChIKeyUGCFUQUOYUPUFE-NOZJJQNGSA-N
XLogP2.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.84
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 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol?
The IUPAC name of 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol (CID 166546811) is 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol.
What is the SMILES notation for 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol?
The canonical SMILES for 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol is C=C(CO)c1cnc(N2C[C@@H](F)[C@H]2C)c2cnc(Cl)cc12.
What is the InChIKey of 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol?
The InChIKey is UGCFUQUOYUPUFE-NOZJJQNGSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-8(7-21)11-4-19-15(20-6-13(17)9(20)2)12-5-18-14(16)3-10(11)12/h3-5,9,13,21H,1,6-7H2,2H3/t9-,13-/m1/s1.
What are the key properties of 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol?
2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol has a molecular weight of 307.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-[(2R,3R)-3-fluoro-2-methylazetidin-1-yl]-2,7-naphthyridin-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 166546811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).