5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol

C18H29BrN2O2 — CID 143864203

IUPAC5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
SMILESBrc1ccc2c(cnn2C2CCCCO2)c1.CC.CC(C)(C)O
InChIInChI=1S/C12H13BrN2O.C4H10O.C2H6/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12;1-4(2,3)5;1-2/h4-5,7-8,12H,1-3,6H2;5H,1-3H3;1-2H3
InChIKeyJDNFIMHULJCRCA-UHFFFAOYSA-N
MW385.35 g/mol
LogP5.30
Rot. Bonds1

About 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol

5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol (PubChem CID 143864203) has the molecular formula C18H29BrN2O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol.

Molecular Properties

Compound Name5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
PubChem CID143864203
Molecular FormulaC18H29BrN2O2
Molecular Weight385.35 g/mol
Exact Mass384.14
IUPAC Name5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol
SMILESBrc1ccc2c(cnn2C2CCCCO2)c1.CC.CC(C)(C)O
InChIInChI=1S/C12H13BrN2O.C4H10O.C2H6/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12;1-4(2,3)5;1-2/h4-5,7-8,12H,1-3,6H2;5H,1-3H3;1-2H3
InChIKeyJDNFIMHULJCRCA-UHFFFAOYSA-N
XLogP5.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.35
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(oxan-2-yl)indazole;1,1-diiodoethane;diiodovanadium;[1-(oxan-2-yl)indazol-5-yl]boronic acid
CID 158650805
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole
CID 141473392
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine
CID 118798481
5-bromo-7-fluoro-1-[(2R)-oxan-2-yl]indazole
CID 129379553
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol?
The IUPAC name of 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol (CID 143864203) is 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol.
What is the SMILES notation for 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol?
The canonical SMILES for 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol is Brc1ccc2c(cnn2C2CCCCO2)c1.CC.CC(C)(C)O.
What is the InChIKey of 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol?
The InChIKey is JDNFIMHULJCRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O.C4H10O.C2H6/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12;1-4(2,3)5;1-2/h4-5,7-8,12H,1-3,6H2;5H,1-3H3;1-2H3.
What are the key properties of 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol?
5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol has a molecular weight of 385.35 g/mol, XLogP of 5.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxan-2-yl)indazole;ethane;2-methylpropan-2-ol is sourced from PubChem (CID 143864203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).