(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol

C16H11BrFNO — CID 81216271

IUPAC(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
SMILESOC(c1ccc(F)c(Br)c1)c1cccc2cccnc12
InChIInChI=1S/C16H11BrFNO/c17-13-9-11(6-7-14(13)18)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H
InChIKeyXDFAEKXKRNIAGP-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.22
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol

(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol (PubChem CID 81216271) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
PubChem CID81216271
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
SMILESOC(c1ccc(F)c(Br)c1)c1cccc2cccnc12
InChIInChI=1S/C16H11BrFNO/c17-13-9-11(6-7-14(13)18)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H
InChIKeyXDFAEKXKRNIAGP-UHFFFAOYSA-N
XLogP4.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol
CID 79742263
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol
CID 81215844
(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol
CID 115959949
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(2-bromo-3-fluorophenyl)-quinolin-7-ylmethanol
CID 115827043
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
[3-(dimethylamino)phenyl]-quinolin-8-ylmethanol
CID 105118763
(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
CID 79746628
(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol
CID 81436370
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
CID 115826770

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol (CID 81216271) is (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol is OC(c1ccc(F)c(Br)c1)c1cccc2cccnc12.
What is the InChIKey of (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol?
The InChIKey is XDFAEKXKRNIAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-13-9-11(6-7-14(13)18)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H.
What are the key properties of (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol?
(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol has a molecular weight of 332.17 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol is sourced from PubChem (CID 81216271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).