(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol

C17H20ClFN2O2 — CID 134373339

IUPAC(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol
SMILESCOC12CCC(C(O)c3c(F)c(Cl)cc4cn[nH]c34)(CC1)CC2
InChIInChI=1S/C17H20ClFN2O2/c1-23-17-5-2-16(3-6-17,4-7-17)15(22)12-13(19)11(18)8-10-9-20-21-14(10)12/h8-9,15,22H,2-7H2,1H3,(H,20,21)
InChIKeyWJOMTXDDXLGSTN-UHFFFAOYSA-N
MW338.81 g/mol
LogP4.13
Rot. Bonds3

About (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol

(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol (PubChem CID 134373339) has the molecular formula C17H20ClFN2O2 and a molecular weight of 338.81 g/mol. Its IUPAC name is (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol.

Molecular Properties

Compound Name(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol
PubChem CID134373339
Molecular FormulaC17H20ClFN2O2
Molecular Weight338.81 g/mol
Exact Mass338.12
IUPAC Name(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol
SMILESCOC12CCC(C(O)c3c(F)c(Cl)cc4cn[nH]c34)(CC1)CC2
InChIInChI=1S/C17H20ClFN2O2/c1-23-17-5-2-16(3-6-17,4-7-17)15(22)12-13(19)11(18)8-10-9-20-21-14(10)12/h8-9,15,22H,2-7H2,1H3,(H,20,21)
InChIKeyWJOMTXDDXLGSTN-UHFFFAOYSA-N
XLogP4.13
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol?
The IUPAC name of (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol (CID 134373339) is (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol.
What is the SMILES notation for (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol?
The canonical SMILES for (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol is COC12CCC(C(O)c3c(F)c(Cl)cc4cn[nH]c34)(CC1)CC2.
What is the InChIKey of (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol?
The InChIKey is WJOMTXDDXLGSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O2/c1-23-17-5-2-16(3-6-17,4-7-17)15(22)12-13(19)11(18)8-10-9-20-21-14(10)12/h8-9,15,22H,2-7H2,1H3,(H,20,21).
What are the key properties of (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol?
(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol has a molecular weight of 338.81 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol is sourced from PubChem (CID 134373339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).