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

C15H14ClFN6O2 — CID 166021414

IUPAC(2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol
SMILESN[C@@H](CO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=1S/C15H14ClFN6O2/c16-10-5-13(17)15(19-6-10)25-12-3-1-9(2-4-12)14-20-22-23(21-14)7-11(18)8-24/h1-6,11,24H,7-8,18H2/t11-/m1/s1
InChIKeyVPYZGXYQYYTKOV-LLVKDONJSA-N
MW364.77 g/mol
LogP1.64
Rot. Bonds6

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

(2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol (PubChem CID 166021414) has the molecular formula C15H14ClFN6O2 and a molecular weight of 364.77 g/mol. Its IUPAC name is (2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol
PubChem CID166021414
Molecular FormulaC15H14ClFN6O2
Molecular Weight364.77 g/mol
Exact Mass364.09
IUPAC Name(2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol
SMILESN[C@@H](CO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1
InChIInChI=1S/C15H14ClFN6O2/c16-10-5-13(17)15(19-6-10)25-12-3-1-9(2-4-12)14-20-22-23(21-14)7-11(18)8-24/h1-6,11,24H,7-8,18H2/t11-/m1/s1
InChIKeyVPYZGXYQYYTKOV-LLVKDONJSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

Lys006
CID 118166560
(3R)-3-amino-4-[5-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
CID 118191824
(3R)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
CID 118191829
(2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol
CID 166021388
(2S)-2-amino-3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]pyrazol-1-yl]propan-1-ol
CID 166021325
2-[5-[4-[(5-Chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]ethanamine
CID 172457397
(3S)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butan-1-ol
CID 172462247
(3R)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butan-1-ol
CID 172468539
2-(4-(2H-tetrazol-5-yl)phenoxy)-5-chloro-3-fluoropyridine
CID 118191570
tert-butyl (3S)-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 140765728
[2-[[5-(4-Chloro-3-fluorophenyl)-6-methoxy-3-pyridinyl]methyl]tetrazol-5-yl]methanol
CID 117604505
3-Amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
CID 118166566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol (CID 166021414) is (2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol is N[C@@H](CO)Cn1nnc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)n1.
What is the InChIKey of (2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol?
The InChIKey is VPYZGXYQYYTKOV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14ClFN6O2/c16-10-5-13(17)15(19-6-10)25-12-3-1-9(2-4-12)14-20-22-23(21-14)7-11(18)8-24/h1-6,11,24H,7-8,18H2/t11-/m1/s1.
What are the key properties of (2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol?
(2R)-2-amino-3-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol has a molecular weight of 364.77 g/mol, XLogP of 1.64, 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-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]propan-1-ol is sourced from PubChem (CID 166021414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).