2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H6BrClF6N2O — CID 172600001

IUPAC2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(Cn1cc2c(Cl)c(Br)ccc2n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6BrClF6N2O/c12-6-1-2-7-5(8(6)13)3-21(20-7)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2
InChIKeyYPRZGTWOJRLXFW-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.31
Rot. Bonds2

About 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 172600001) has the molecular formula C11H6BrClF6N2O and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID172600001
Molecular FormulaC11H6BrClF6N2O
Molecular Weight411.53 g/mol
Exact Mass409.93
IUPAC Name2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(Cn1cc2c(Cl)c(Br)ccc2n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6BrClF6N2O/c12-6-1-2-7-5(8(6)13)3-21(20-7)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2
InChIKeyYPRZGTWOJRLXFW-UHFFFAOYSA-N
XLogP4.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 172600001) is 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(Cn1cc2c(Cl)c(Br)ccc2n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is YPRZGTWOJRLXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF6N2O/c12-6-1-2-7-5(8(6)13)3-21(20-7)4-9(22,10(14,15)16)11(17,18)19/h1-3,22H,4H2.
What are the key properties of 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 411.53 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-chloroindazol-2-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 172600001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).