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

C12H13ClN2O — CID 138754771

IUPAC5-chloro-1-(oxan-2-yl)indazole
SMILESClc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C12H13ClN2O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6H2
InChIKeyPFTJVNMNBGTQEO-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.39
Rot. Bonds1

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

5-chloro-1-(oxan-2-yl)indazole (PubChem CID 138754771) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 5-chloro-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-chloro-1-(oxan-2-yl)indazole
PubChem CID138754771
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name5-chloro-1-(oxan-2-yl)indazole
SMILESClc1ccc2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C12H13ClN2O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6H2
InChIKeyPFTJVNMNBGTQEO-UHFFFAOYSA-N
XLogP3.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
5-[1-(4-chlorophenyl)-2-(2,2,6,6-tetramethyloxan-4-yl)ethenyl]-1-(oxan-2-yl)indazole
CID 172609747
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
CID 178036760
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
CID 143864203
3-[1-(oxan-2-yl)indazol-5-yl]prop-2-ynal
CID 86663366
6-chloro-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 121228968
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(oxan-2-yl)indazole?
The IUPAC name of 5-chloro-1-(oxan-2-yl)indazole (CID 138754771) is 5-chloro-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-chloro-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-chloro-1-(oxan-2-yl)indazole is Clc1ccc2c(cnn2C2CCCCO2)c1.
What is the InChIKey of 5-chloro-1-(oxan-2-yl)indazole?
The InChIKey is PFTJVNMNBGTQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6H2.
What are the key properties of 5-chloro-1-(oxan-2-yl)indazole?
5-chloro-1-(oxan-2-yl)indazole has a molecular weight of 236.70 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(oxan-2-yl)indazole is sourced from PubChem (CID 138754771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).