2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol

C15H18BrClN2O2 — CID 177150139

IUPAC2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol
SMILESCC(CO)c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br
InChIInChI=1S/C15H18BrClN2O2/c1-9(8-20)14-11(17)6-12-10(15(14)16)7-18-19(12)13-4-2-3-5-21-13/h6-7,9,13,20H,2-5,8H2,1H3
InChIKeyUZIGWPDLEVPLIU-UHFFFAOYSA-N
MW373.68 g/mol
LogP4.25
Rot. Bonds3

About 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol

2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol (PubChem CID 177150139) has the molecular formula C15H18BrClN2O2 and a molecular weight of 373.68 g/mol. Its IUPAC name is 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol
PubChem CID177150139
Molecular FormulaC15H18BrClN2O2
Molecular Weight373.68 g/mol
Exact Mass372.02
IUPAC Name2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol
SMILESCC(CO)c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br
InChIInChI=1S/C15H18BrClN2O2/c1-9(8-20)14-11(17)6-12-10(15(14)16)7-18-19(12)13-4-2-3-5-21-13/h6-7,9,13,20H,2-5,8H2,1H3
InChIKeyUZIGWPDLEVPLIU-UHFFFAOYSA-N
XLogP4.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butanamide
CID 171613144
2-[4-bromo-6-fluoro-1-(oxan-2-yl)indazol-5-yl]butan-1-ol;ethanol
CID 171613697
3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propanoic acid
CID 171613449
1-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclobutan-1-ol
CID 171567865
3-azido-4-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]butan-2-one
CID 171613621
3-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-amine
CID 171613484
4-bromo-6-chloro-5-(cyclobuten-1-yl)-1-(oxan-2-yl)indazole
CID 171567846
methyl (2E,4E)-5-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]penta-2,4-dienoate
CID 171613507
2-[(1S,2S)-2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]cyclopropyl]acetaldehyde
CID 177330332
4-bromo-5-ethoxy-6-methyl-1-(oxan-2-yl)indazole;methanol
CID 171613304
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol?
The IUPAC name of 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol (CID 177150139) is 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol?
The canonical SMILES for 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol is CC(CO)c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br.
What is the InChIKey of 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol?
The InChIKey is UZIGWPDLEVPLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O2/c1-9(8-20)14-11(17)6-12-10(15(14)16)7-18-19(12)13-4-2-3-5-21-13/h6-7,9,13,20H,2-5,8H2,1H3.
What are the key properties of 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol?
2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol has a molecular weight of 373.68 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-6-chloro-1-(oxan-2-yl)indazol-5-yl]propan-1-ol is sourced from PubChem (CID 177150139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).