2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol

C15H18ClN3O — CID 166546536

IUPAC2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol
SMILESCC(CO)c1ncc(N2CC[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-9(8-20)15-11-5-14(16)17-6-12(11)13(7-18-15)19-4-3-10(19)2/h5-7,9-10,20H,3-4,8H2,1-2H3/t9?,10-/m1/s1
InChIKeyYQMYBVUQGZRUJM-QVDQXJPCSA-N
MW291.78 g/mol
LogP2.98
Rot. Bonds3

About 2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol

2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol (PubChem CID 166546536) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol
PubChem CID166546536
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol
SMILESCC(CO)c1ncc(N2CC[C@H]2C)c2cnc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-9(8-20)15-11-5-14(16)17-6-12(11)13(7-18-15)19-4-3-10(19)2/h5-7,9-10,20H,3-4,8H2,1-2H3/t9?,10-/m1/s1
InChIKeyYQMYBVUQGZRUJM-QVDQXJPCSA-N
XLogP2.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.98
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-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol?
The IUPAC name of 2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol (CID 166546536) is 2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol.
What is the SMILES notation for 2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol?
The canonical SMILES for 2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol is CC(CO)c1ncc(N2CC[C@H]2C)c2cnc(Cl)cc12.
What is the InChIKey of 2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol?
The InChIKey is YQMYBVUQGZRUJM-QVDQXJPCSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9(8-20)15-11-5-14(16)17-6-12(11)13(7-18-15)19-4-3-10(19)2/h5-7,9-10,20H,3-4,8H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of 2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol?
2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-4-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-1-yl]propan-1-ol is sourced from PubChem (CID 166546536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).