(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol

C10H7BrFNOS — CID 86730392

IUPAC(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)c1cccc(Br)c1F
InChIInChI=1S/C10H7BrFNOS/c11-7-3-1-2-6(8(7)12)9(14)10-13-4-5-15-10/h1-5,9,14H
InChIKeyLUHYZMFEBXFXMU-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.13
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol

(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol (PubChem CID 86730392) has the molecular formula C10H7BrFNOS and a molecular weight of 288.14 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol
PubChem CID86730392
Molecular FormulaC10H7BrFNOS
Molecular Weight288.14 g/mol
Exact Mass286.94
IUPAC Name(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)c1cccc(Br)c1F
InChIInChI=1S/C10H7BrFNOS/c11-7-3-1-2-6(8(7)12)9(14)10-13-4-5-15-10/h1-5,9,14H
InChIKeyLUHYZMFEBXFXMU-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methanol
CID 106644525
(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 86730391
(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436
(2-chloro-3-pyridinyl)-(1,3-thiazol-2-yl)methanol
CID 54170926
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methanol
CID 114020210
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol (CID 86730392) is (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol is OC(c1nccs1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol?
The InChIKey is LUHYZMFEBXFXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNOS/c11-7-3-1-2-6(8(7)12)9(14)10-13-4-5-15-10/h1-5,9,14H.
What are the key properties of (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol?
(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol has a molecular weight of 288.14 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 86730392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).