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

C12H11ClF2N2O — CID 134373367

IUPAC(5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1CC(F)(F)C1
InChIInChI=1S/C12H11ClF2N2O/c13-8-1-6-5-16-17-10(6)9(2-8)11(18)7-3-12(14,15)4-7/h1-2,5,7,11,18H,3-4H2,(H,16,17)
InChIKeyPEPYLEOASSTCAE-UHFFFAOYSA-N
MW272.68 g/mol
LogP3.30
Rot. Bonds2

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

(5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol (PubChem CID 134373367) has the molecular formula C12H11ClF2N2O and a molecular weight of 272.68 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol
PubChem CID134373367
Molecular FormulaC12H11ClF2N2O
Molecular Weight272.68 g/mol
Exact Mass272.05
IUPAC Name(5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1CC(F)(F)C1
InChIInChI=1S/C12H11ClF2N2O/c13-8-1-6-5-16-17-10(6)9(2-8)11(18)7-3-12(14,15)4-7/h1-2,5,7,11,18H,3-4H2,(H,16,17)
InChIKeyPEPYLEOASSTCAE-UHFFFAOYSA-N
XLogP3.30
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 53.30
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-difluorocyclobutyl)methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol (CID 134373367) is (5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol is OC(c1cc(Cl)cc2cn[nH]c12)C1CC(F)(F)C1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol?
The InChIKey is PEPYLEOASSTCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O/c13-8-1-6-5-16-17-10(6)9(2-8)11(18)7-3-12(14,15)4-7/h1-2,5,7,11,18H,3-4H2,(H,16,17).
What are the key properties of (5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol?
(5-chloro-1H-indazol-7-yl)-(3,3-difluorocyclobutyl)methanol has a molecular weight of 272.68 g/mol, XLogP of 3.30, 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-difluorocyclobutyl)methanol is sourced from PubChem (CID 134373367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).