5-bromo-6-chloro-1-(oxan-2-yl)indazole

C12H12BrClN2O — CID 139347721

IUPAC5-bromo-6-chloro-1-(oxan-2-yl)indazole
SMILESClc1cc2c(cnn2C2CCCCO2)cc1Br
InChIInChI=1S/C12H12BrClN2O/c13-9-5-8-7-15-16(11(8)6-10(9)14)12-3-1-2-4-17-12/h5-7,12H,1-4H2
InChIKeyNEOCNSCCFPBTGZ-UHFFFAOYSA-N
MW315.60 g/mol
LogP4.15
Rot. Bonds1

About 5-bromo-6-chloro-1-(oxan-2-yl)indazole

5-bromo-6-chloro-1-(oxan-2-yl)indazole (PubChem CID 139347721) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 5-bromo-6-chloro-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-6-chloro-1-(oxan-2-yl)indazole
PubChem CID139347721
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name5-bromo-6-chloro-1-(oxan-2-yl)indazole
SMILESClc1cc2c(cnn2C2CCCCO2)cc1Br
InChIInChI=1S/C12H12BrClN2O/c13-9-5-8-7-15-16(11(8)6-10(9)14)12-3-1-2-4-17-12/h5-7,12H,1-4H2
InChIKeyNEOCNSCCFPBTGZ-UHFFFAOYSA-N
XLogP4.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
4-bromo-6-chloro-5-(cyclobuten-1-yl)-1-(oxan-2-yl)indazole
CID 171567846
1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol
CID 171567865
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol
CID 177150139
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
1-[(2S)-oxan-2-yl]indazole
CID 124562379
6-bromo-4-chloro-1-[1-(oxan-2-yl)indazol-6-yl]benzotriazole
CID 146433259
6-bromo-1-[(2S)-oxan-2-yl]pyrazolo[4,5-b]pyridine
CID 124518404
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-1-(oxan-2-yl)indazole?
The IUPAC name of 5-bromo-6-chloro-1-(oxan-2-yl)indazole (CID 139347721) is 5-bromo-6-chloro-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-bromo-6-chloro-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-bromo-6-chloro-1-(oxan-2-yl)indazole is Clc1cc2c(cnn2C2CCCCO2)cc1Br.
What is the InChIKey of 5-bromo-6-chloro-1-(oxan-2-yl)indazole?
The InChIKey is NEOCNSCCFPBTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c13-9-5-8-7-15-16(11(8)6-10(9)14)12-3-1-2-4-17-12/h5-7,12H,1-4H2.
What are the key properties of 5-bromo-6-chloro-1-(oxan-2-yl)indazole?
5-bromo-6-chloro-1-(oxan-2-yl)indazole has a molecular weight of 315.60 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-1-(oxan-2-yl)indazole is sourced from PubChem (CID 139347721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).