(R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol

C16H18ClFN2O — CID 134368022

IUPAC(R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol
SMILESO[C@@H](c1c(F)c(Cl)cc2cn[nH]c12)C12CCC(CC1)CC2
InChIInChI=1S/C16H18ClFN2O/c17-11-7-10-8-19-20-14(10)12(13(11)18)15(21)16-4-1-9(2-5-16)3-6-16/h7-9,15,21H,1-6H2,(H,19,20)/t9?,15-,16?/m0/s1
InChIKeyLRLUSNPDBSTKOY-YLTOGULDSA-N
MW308.78 g/mol
LogP4.36
Rot. Bonds2

About (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol

(R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol (PubChem CID 134368022) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol.

Molecular Properties

Compound Name(R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol
PubChem CID134368022
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name(R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol
SMILESO[C@@H](c1c(F)c(Cl)cc2cn[nH]c12)C12CCC(CC1)CC2
InChIInChI=1S/C16H18ClFN2O/c17-11-7-10-8-19-20-14(10)12(13(11)18)15(21)16-4-1-9(2-5-16)3-6-16/h7-9,15,21H,1-6H2,(H,19,20)/t9?,15-,16?/m0/s1
InChIKeyLRLUSNPDBSTKOY-YLTOGULDSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol?
The IUPAC name of (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol (CID 134368022) is (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol.
What is the SMILES notation for (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol?
The canonical SMILES for (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol is O[C@@H](c1c(F)c(Cl)cc2cn[nH]c12)C12CCC(CC1)CC2.
What is the InChIKey of (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol?
The InChIKey is LRLUSNPDBSTKOY-YLTOGULDSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c17-11-7-10-8-19-20-14(10)12(13(11)18)15(21)16-4-1-9(2-5-16)3-6-16/h7-9,15,21H,1-6H2,(H,19,20)/t9?,15-,16?/m0/s1.
What are the key properties of (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol?
(R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol has a molecular weight of 308.78 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol is sourced from PubChem (CID 134368022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).