6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine

C16H16ClF2N3 — CID 166547154

IUPAC6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CC3(C2)CC3(F)F)c2cnc(Cl)cc12
InChIInChI=1S/C16H16ClF2N3/c1-9(2)11-4-21-14(12-5-20-13(17)3-10(11)12)22-7-15(8-22)6-16(15,18)19/h3-5,9H,6-8H2,1-2H3
InChIKeyJXYFPMQMJMDXQB-UHFFFAOYSA-N
MW323.77 g/mol
LogP4.25
Rot. Bonds2

About 6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine

6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine (PubChem CID 166547154) has the molecular formula C16H16ClF2N3 and a molecular weight of 323.77 g/mol. Its IUPAC name is 6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine
PubChem CID166547154
Molecular FormulaC16H16ClF2N3
Molecular Weight323.77 g/mol
Exact Mass323.10
IUPAC Name6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2CC3(C2)CC3(F)F)c2cnc(Cl)cc12
InChIInChI=1S/C16H16ClF2N3/c1-9(2)11-4-21-14(12-5-20-13(17)3-10(11)12)22-7-15(8-22)6-16(15,18)19/h3-5,9H,6-8H2,1-2H3
InChIKeyJXYFPMQMJMDXQB-UHFFFAOYSA-N
XLogP4.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 54.25
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-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine?
The IUPAC name of 6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine (CID 166547154) is 6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine.
What is the SMILES notation for 6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine?
The canonical SMILES for 6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine is CC(C)c1cnc(N2CC3(C2)CC3(F)F)c2cnc(Cl)cc12.
What is the InChIKey of 6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine?
The InChIKey is JXYFPMQMJMDXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N3/c1-9(2)11-4-21-14(12-5-20-13(17)3-10(11)12)22-7-15(8-22)6-16(15,18)19/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine?
6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine has a molecular weight of 323.77 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,2-difluoro-5-azaspiro[2.3]hexan-5-yl)-4-propan-2-yl-2,7-naphthyridine is sourced from PubChem (CID 166547154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).