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

C15H14ClFN6O2 — CID 166021357

IUPAC(2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol
SMILESN[C@H](CO)Cc1nnn(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=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-/m0/s1
InChIKeyAXSUKMCCAGHBME-JTQLQIEISA-N
MW364.77 g/mol
LogP1.50
Rot. Bonds6

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

(2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol (PubChem CID 166021357) has the molecular formula C15H14ClFN6O2 and a molecular weight of 364.77 g/mol. Its IUPAC name is (2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol
PubChem CID166021357
Molecular FormulaC15H14ClFN6O2
Molecular Weight364.77 g/mol
Exact Mass364.09
IUPAC Name(2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol
SMILESN[C@H](CO)Cc1nnn(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=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-/m0/s1
InChIKeyAXSUKMCCAGHBME-JTQLQIEISA-N
XLogP1.50
TPSA111.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.77
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol?
The IUPAC name of (2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol (CID 166021357) is (2S)-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 (2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol?
The canonical SMILES for (2S)-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 (2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol?
The InChIKey is AXSUKMCCAGHBME-JTQLQIEISA-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-/m0/s1.
What are the key properties of (2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol?
(2S)-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 (2S)-2-amino-3-[2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-5-yl]propan-1-ol is sourced from PubChem (CID 166021357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).