(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol

C13H13ClF2N2O — CID 134373838

IUPAC(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
SMILESCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC(F)(F)C1
InChIInChI=1S/C13H13ClF2N2O/c1-12(5-13(15,16)6-12)11(19)9-3-8(14)2-7-4-17-18-10(7)9/h2-4,11,19H,5-6H2,1H3,(H,17,18)
InChIKeyGRZVPXXEEJXSDI-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.69
Rot. Bonds2

About (5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol

(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol (PubChem CID 134373838) has the molecular formula C13H13ClF2N2O and a molecular weight of 286.71 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
PubChem CID134373838
Molecular FormulaC13H13ClF2N2O
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
SMILESCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC(F)(F)C1
InChIInChI=1S/C13H13ClF2N2O/c1-12(5-13(15,16)6-12)11(19)9-3-8(14)2-7-4-17-18-10(7)9/h2-4,11,19H,5-6H2,1H3,(H,17,18)
InChIKeyGRZVPXXEEJXSDI-UHFFFAOYSA-N
XLogP3.69
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.69
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)-(3,3-difluoro-1-methylcyclobutyl)methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol (CID 134373838) is (5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol is CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC(F)(F)C1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
The InChIKey is GRZVPXXEEJXSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O/c1-12(5-13(15,16)6-12)11(19)9-3-8(14)2-7-4-17-18-10(7)9/h2-4,11,19H,5-6H2,1H3,(H,17,18).
What are the key properties of (5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol has a molecular weight of 286.71 g/mol, XLogP of 3.69, 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)-(3,3-difluoro-1-methylcyclobutyl)methanol is sourced from PubChem (CID 134373838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).