6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine

C16H18ClF2N3O — CID 166546607

IUPAC6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2C[C@H](OC(F)F)[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C16H18ClF2N3O/c1-8(2)11-5-21-15(12-6-20-14(17)4-10(11)12)22-7-13(9(22)3)23-16(18)19/h4-6,8-9,13,16H,7H2,1-3H3/t9-,13+/m1/s1
InChIKeyXBHLMPPTLVPISA-RNCFNFMXSA-N
MW341.79 g/mol
LogP4.22
Rot. Bonds4

About 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine

6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine (PubChem CID 166546607) has the molecular formula C16H18ClF2N3O and a molecular weight of 341.79 g/mol. Its IUPAC name is 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine.

Molecular Properties

Compound Name6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
PubChem CID166546607
Molecular FormulaC16H18ClF2N3O
Molecular Weight341.79 g/mol
Exact Mass341.11
IUPAC Name6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine
SMILESCC(C)c1cnc(N2C[C@H](OC(F)F)[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C16H18ClF2N3O/c1-8(2)11-5-21-15(12-6-20-14(17)4-10(11)12)22-7-13(9(22)3)23-16(18)19/h4-6,8-9,13,16H,7H2,1-3H3/t9-,13+/m1/s1
InChIKeyXBHLMPPTLVPISA-RNCFNFMXSA-N
XLogP4.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.22
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 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
The IUPAC name of 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine (CID 166546607) is 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine.
What is the SMILES notation for 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
The canonical SMILES for 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine is CC(C)c1cnc(N2C[C@H](OC(F)F)[C@H]2C)c2cnc(Cl)cc12.
What is the InChIKey of 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
The InChIKey is XBHLMPPTLVPISA-RNCFNFMXSA-N. The full InChI is InChI=1S/C16H18ClF2N3O/c1-8(2)11-5-21-15(12-6-20-14(17)4-10(11)12)22-7-13(9(22)3)23-16(18)19/h4-6,8-9,13,16H,7H2,1-3H3/t9-,13+/m1/s1.
What are the key properties of 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine?
6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine has a molecular weight of 341.79 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2R,3S)-3-(difluoromethoxy)-2-methylazetidin-1-yl]-4-propan-2-yl-2,7-naphthyridine is sourced from PubChem (CID 166546607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).