(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol

C16H14F3N3O — CID 90252850

IUPAC(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCc1nn(-c2cncc([C@](C)(O)C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1
InChIKeyQZDITHIIKPAORB-HNNXBMFYSA-N
MW321.30 g/mol
LogP3.50
Rot. Bonds2

About (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol

(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol (PubChem CID 90252850) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
PubChem CID90252850
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol
SMILESCc1nn(-c2cncc([C@](C)(O)C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1
InChIKeyQZDITHIIKPAORB-HNNXBMFYSA-N
XLogP3.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol (CID 90252850) is (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol is Cc1nn(-c2cncc([C@](C)(O)C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
The InChIKey is QZDITHIIKPAORB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-10-13-5-3-4-6-14(13)22(21-10)12-7-11(8-20-9-12)15(2,23)16(17,18)19/h3-9,23H,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol?
(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol has a molecular weight of 321.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90252850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).