(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol

C11H9BrFNO — CID 114560493

IUPAC(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol
SMILESOC(c1ccc[nH]1)c1c(F)cccc1Br
InChIInChI=1S/C11H9BrFNO/c12-7-3-1-4-8(13)10(7)11(15)9-5-2-6-14-9/h1-6,11,14-15H
InChIKeyOBXLECSLXWGIPE-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.00
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol

(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol (PubChem CID 114560493) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol
PubChem CID114560493
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol
SMILESOC(c1ccc[nH]1)c1c(F)cccc1Br
InChIInChI=1S/C11H9BrFNO/c12-7-3-1-4-8(13)10(7)11(15)9-5-2-6-14-9/h1-6,11,14-15H
InChIKeyOBXLECSLXWGIPE-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol (CID 114560493) is (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol is OC(c1ccc[nH]1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol?
The InChIKey is OBXLECSLXWGIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c12-7-3-1-4-8(13)10(7)11(15)9-5-2-6-14-9/h1-6,11,14-15H.
What are the key properties of (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol?
(2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol has a molecular weight of 270.10 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 114560493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).