[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol

C14H16BrFN2O — CID 155437708

IUPAC[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol
SMILESOCC1CCC(n2cc3cc(Br)c(F)cc3n2)CC1
InChIInChI=1S/C14H16BrFN2O/c15-12-5-10-7-18(17-14(10)6-13(12)16)11-3-1-9(8-19)2-4-11/h5-7,9,11,19H,1-4,8H2
InChIKeyXJFVBFLTZQPWIJ-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.66
Rot. Bonds2

About [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol

[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol (PubChem CID 155437708) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol
PubChem CID155437708
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol
SMILESOCC1CCC(n2cc3cc(Br)c(F)cc3n2)CC1
InChIInChI=1S/C14H16BrFN2O/c15-12-5-10-7-18(17-14(10)6-13(12)16)11-3-1-9(8-19)2-4-11/h5-7,9,11,19H,1-4,8H2
InChIKeyXJFVBFLTZQPWIJ-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol?
The IUPAC name of [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol (CID 155437708) is [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol?
The canonical SMILES for [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol is OCC1CCC(n2cc3cc(Br)c(F)cc3n2)CC1.
What is the InChIKey of [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol?
The InChIKey is XJFVBFLTZQPWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c15-12-5-10-7-18(17-14(10)6-13(12)16)11-3-1-9(8-19)2-4-11/h5-7,9,11,19H,1-4,8H2.
What are the key properties of [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol?
[4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol has a molecular weight of 327.20 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-6-fluoroindazol-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 155437708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).