(5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol

C12H11ClF2N2O — CID 134373727

IUPAC(5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol
SMILESOC(c1c(F)c(Cl)c(F)c2cn[nH]c12)C1CCC1
InChIInChI=1S/C12H11ClF2N2O/c13-8-9(14)6-4-16-17-11(6)7(10(8)15)12(18)5-2-1-3-5/h4-5,12,18H,1-3H2,(H,16,17)
InChIKeyWGUFMQYORAPZMJ-UHFFFAOYSA-N
MW272.68 g/mol
LogP3.33
Rot. Bonds2

About (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol

(5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol (PubChem CID 134373727) has the molecular formula C12H11ClF2N2O and a molecular weight of 272.68 g/mol. Its IUPAC name is (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol.

Molecular Properties

Compound Name(5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol
PubChem CID134373727
Molecular FormulaC12H11ClF2N2O
Molecular Weight272.68 g/mol
Exact Mass272.05
IUPAC Name(5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol
SMILESOC(c1c(F)c(Cl)c(F)c2cn[nH]c12)C1CCC1
InChIInChI=1S/C12H11ClF2N2O/c13-8-9(14)6-4-16-17-11(6)7(10(8)15)12(18)5-2-1-3-5/h4-5,12,18H,1-3H2,(H,16,17)
InChIKeyWGUFMQYORAPZMJ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol?
The IUPAC name of (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol (CID 134373727) is (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol.
What is the SMILES notation for (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol?
The canonical SMILES for (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol is OC(c1c(F)c(Cl)c(F)c2cn[nH]c12)C1CCC1.
What is the InChIKey of (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol?
The InChIKey is WGUFMQYORAPZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O/c13-8-9(14)6-4-16-17-11(6)7(10(8)15)12(18)5-2-1-3-5/h4-5,12,18H,1-3H2,(H,16,17).
What are the key properties of (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol?
(5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol has a molecular weight of 272.68 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol is sourced from PubChem (CID 134373727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).