(2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol

C15H14ClFN6O2 — CID 166021360

About (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol

(2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol (PubChem CID 166021360) has the molecular formula C15H14ClFN6O2 and a molecular weight of 364.77 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol
• PubChem CID: 166021360
• Molecular Formula: C15H14ClFN6O2
• Molecular Weight: 364.77 g/mol
• Exact Mass: 364.09
• IUPAC Name: (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol
• SMILES: N[C@@H](CO)Cc1nnn(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
• InChI: InChI=1S/C15H14ClFN6O2/c16-9-5-13(17)15(19-7-9)25-12-3-1-11(2-4-12)23-21-14(20-22-23)6-10(18)8-24/h1-5,7,10,24H,6,8,18H2/t10-/m1/s1
• InChIKey: AXSUKMCCAGHBME-SNVBAGLBSA-N
• XLogP: 1.50
• TPSA: 111.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.77
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol?

The IUPAC name of (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol (CID 166021360) is (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol.

What is the SMILES notation for (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol?

The canonical SMILES for (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol is N[C@@H](CO)Cc1nnn(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1.

What is the InChIKey of (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol?

The InChIKey is AXSUKMCCAGHBME-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClFN6O2/c16-9-5-13(17)15(19-7-9)25-12-3-1-11(2-4-12)23-21-14(20-22-23)6-10(18)8-24/h1-5,7,10,24H,6,8,18H2/t10-/m1/s1.

What are the key properties of (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol?

(2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol has a molecular weight of 364.77 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol is sourced from PubChem (CID 166021360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).