6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine

C15H17ClFN3 — CID 166546814

IUPAC6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CC(F)C2C)c2cnc(Cl)cc12
InChIInChI=1S/C15H17ClFN3/c1-8(2)11-5-19-15(20-7-13(17)9(20)3)12-6-18-14(16)4-10(11)12/h4-6,8-9,13H,7H2,1-3H3
InChIKeyZXISHERQOXIRQP-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.95
Rot. Bonds2

About 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine

6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine (PubChem CID 166546814) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
PubChem CID166546814
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CC(F)C2C)c2cnc(Cl)cc12
InChIInChI=1S/C15H17ClFN3/c1-8(2)11-5-19-15(20-7-13(17)9(20)3)12-6-18-14(16)4-10(11)12/h4-6,8-9,13H,7H2,1-3H3
InChIKeyZXISHERQOXIRQP-UHFFFAOYSA-N
XLogP3.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.95
H-Bond Donors ≤ 50
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 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine?
The IUPAC name of 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine (CID 166546814) is 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine.
What is the SMILES notation for 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine?
The canonical SMILES for 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine is CC(C)c1cnc(N2CC(F)C2C)c2cnc(Cl)cc12.
What is the InChIKey of 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine?
The InChIKey is ZXISHERQOXIRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-8(2)11-5-19-15(20-7-13(17)9(20)3)12-6-18-14(16)4-10(11)12/h4-6,8-9,13H,7H2,1-3H3.
What are the key properties of 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine?
6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine has a molecular weight of 293.77 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-fluoro-2-methylazetidin-1-yl)-4-propan-2-yl-2,7-naphthyridine is sourced from PubChem (CID 166546814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).