(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol

C16H18ClFN2O — CID 134373521

IUPAC(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C12CCC(F)(CC1)CC2
InChIInChI=1S/C16H18ClFN2O/c17-11-7-10-9-19-20-13(10)12(8-11)14(21)15-1-4-16(18,5-2-15)6-3-15/h7-9,14,21H,1-6H2,(H,19,20)
InChIKeyDTHHXOHXXZHWBC-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.31
Rot. Bonds2

About (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol

(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol (PubChem CID 134373521) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
PubChem CID134373521
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C12CCC(F)(CC1)CC2
InChIInChI=1S/C16H18ClFN2O/c17-11-7-10-9-19-20-13(10)12(8-11)14(21)15-1-4-16(18,5-2-15)6-3-15/h7-9,14,21H,1-6H2,(H,19,20)
InChIKeyDTHHXOHXXZHWBC-UHFFFAOYSA-N
XLogP4.31
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol (CID 134373521) is (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol is OC(c1cc(Cl)cc2cn[nH]c12)C12CCC(F)(CC1)CC2.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol?
The InChIKey is DTHHXOHXXZHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c17-11-7-10-9-19-20-13(10)12(8-11)14(21)15-1-4-16(18,5-2-15)6-3-15/h7-9,14,21H,1-6H2,(H,19,20).
What are the key properties of (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol?
(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol has a molecular weight of 308.78 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol is sourced from PubChem (CID 134373521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).