2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol

C16H14F3N3O — CID 90252957

IUPAC2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2nc(C(F)(F)F)c3ccccc32)c1
InChIInChI=1S/C16H14F3N3O/c1-15(2,23)10-7-11(9-20-8-10)22-13-6-4-3-5-12(13)14(21-22)16(17,18)19/h3-9,23H,1-2H3
InChIKeyRLXLVBGXYMNQCE-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.67
Rot. Bonds2

About 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol

2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol (PubChem CID 90252957) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
PubChem CID90252957
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cncc(-n2nc(C(F)(F)F)c3ccccc32)c1
InChIInChI=1S/C16H14F3N3O/c1-15(2,23)10-7-11(9-20-8-10)22-13-6-4-3-5-12(13)14(21-22)16(17,18)19/h3-9,23H,1-2H3
InChIKeyRLXLVBGXYMNQCE-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(7-Fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 75593332
2-[5-(4-Chloro-7-fluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252771
2-[5-(4,7-Difluoroindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 137639834
2-[8-fluoro-5-[(1S)-1-(3-fluoro-2-pyridinyl)butyl]-7-[3-methyl-5-(trideuteriomethyl)triazol-4-yl]pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 166626509
2-[5-(5-Chloroindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252806
2-[5-(3-Methoxyindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252809
2-[5-(6-Chloroindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252810
2-[5-(5-Methylindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252812
2-[5-[5-(Trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252814
2-[5-[4-(Trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252834
(2S)-1,1,1-trifluoro-2-[5-(3-methylindazol-1-yl)pyridin-3-yl]propan-2-ol
CID 90252850
(2S)-1,1,1-trifluoro-2-[5-[3-(trifluoromethyl)indazol-1-yl]pyridin-3-yl]propan-2-ol
CID 90252851

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol (CID 90252957) is 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol is CC(C)(O)c1cncc(-n2nc(C(F)(F)F)c3ccccc32)c1.
What is the InChIKey of 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
The InChIKey is RLXLVBGXYMNQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-15(2,23)10-7-11(9-20-8-10)22-13-6-4-3-5-12(13)14(21-22)16(17,18)19/h3-9,23H,1-2H3.
What are the key properties of 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol?
2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol has a molecular weight of 321.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 90252957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).