(5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol

C13H12ClF3N2O — CID 134373946

IUPAC(5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
SMILESCC1(C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC(F)(F)C1
InChIInChI=1S/C13H12ClF3N2O/c1-12(4-13(16,17)5-12)11(20)8-9(15)7(14)2-6-3-18-19-10(6)8/h2-3,11,20H,4-5H2,1H3,(H,18,19)
InChIKeyUQPRMUUXKWAJLS-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.82
Rot. Bonds2

About (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol

(5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol (PubChem CID 134373946) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol.

Molecular Properties

Compound Name(5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
PubChem CID134373946
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name(5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
SMILESCC1(C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC(F)(F)C1
InChIInChI=1S/C13H12ClF3N2O/c1-12(4-13(16,17)5-12)11(20)8-9(15)7(14)2-6-3-18-19-10(6)8/h2-3,11,20H,4-5H2,1H3,(H,18,19)
InChIKeyUQPRMUUXKWAJLS-UHFFFAOYSA-N
XLogP3.82
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-6-fluoro-1H-indazol-7-yl)-[1-(oxan-4-yl)cyclopropyl]methanol
CID 134373734
1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol
CID 134411510
(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol
CID 134373518
(5-chloro-1H-indazol-7-yl)-(3-fluoro-3-methylcyclobutyl)methanol
CID 161390872
(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol
CID 134373366
(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
CID 134373521
7-chloro-5-methylsulfanyl-1H-indazole
CID 167025504
7-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 75487344
5-chloro-7-propan-2-yl-1H-indazole
CID 166818723
1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
CID 134410251
7-tert-butyl-5-chloro-6-methyl-1H-indazole
CID 176638883
[3-(5-chloro-6-fluoro-1H-indazol-7-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-methyl-methylidene-oxo-λ6-sulfane
CID 158729529

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
The IUPAC name of (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol (CID 134373946) is (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol.
What is the SMILES notation for (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
The canonical SMILES for (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol is CC1(C(O)c2c(F)c(Cl)cc3cn[nH]c23)CC(F)(F)C1.
What is the InChIKey of (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
The InChIKey is UQPRMUUXKWAJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c1-12(4-13(16,17)5-12)11(20)8-9(15)7(14)2-6-3-18-19-10(6)8/h2-3,11,20H,4-5H2,1H3,(H,18,19).
What are the key properties of (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
(5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol has a molecular weight of 304.70 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol is sourced from PubChem (CID 134373946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).