(5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol

C16H18ClFN2O2 — CID 134373734

IUPAC(5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol
SMILESOC(c1c(F)c(Cl)cc2cn[nH]c12)C1(C2CCOCC2)CC1
InChIInChI=1S/C16H18ClFN2O2/c17-11-7-9-8-19-20-14(9)12(13(11)18)15(21)16(3-4-16)10-1-5-22-6-2-10/h7-8,10,15,21H,1-6H2,(H,19,20)
InChIKeyFRBLJCBRJLYKCQ-UHFFFAOYSA-N
MW324.78 g/mol
LogP3.60
Rot. Bonds3

About (5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol

(5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol (PubChem CID 134373734) has the molecular formula C16H18ClFN2O2 and a molecular weight of 324.78 g/mol. Its IUPAC name is (5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name(5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol
PubChem CID134373734
Molecular FormulaC16H18ClFN2O2
Molecular Weight324.78 g/mol
Exact Mass324.10
IUPAC Name(5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol
SMILESOC(c1c(F)c(Cl)cc2cn[nH]c12)C1(C2CCOCC2)CC1
InChIInChI=1S/C16H18ClFN2O2/c17-11-7-9-8-19-20-14(9)12(13(11)18)15(21)16(3-4-16)10-1-5-22-6-2-10/h7-8,10,15,21H,1-6H2,(H,19,20)
InChIKeyFRBLJCBRJLYKCQ-UHFFFAOYSA-N
XLogP3.60
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 53.60
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)-[1-(oxan-4-yl)cyclopropyl]methanol?
The IUPAC name of (5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol (CID 134373734) is (5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol.
What is the SMILES notation for (5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol?
The canonical SMILES for (5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol is OC(c1c(F)c(Cl)cc2cn[nH]c12)C1(C2CCOCC2)CC1.
What is the InChIKey of (5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol?
The InChIKey is FRBLJCBRJLYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O2/c17-11-7-9-8-19-20-14(9)12(13(11)18)15(21)16(3-4-16)10-1-5-22-6-2-10/h7-8,10,15,21H,1-6H2,(H,19,20).
What are the key properties of (5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol?
(5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol has a molecular weight of 324.78 g/mol, XLogP of 3.60, 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)-[1-(oxan-4-yl)cyclopropyl]methanol is sourced from PubChem (CID 134373734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).