(5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol

C16H11BrFNO — CID 79742263

IUPAC(5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol
SMILESOC(c1cc(Br)ccc1F)c1cccc2cccnc12
InChIInChI=1S/C16H11BrFNO/c17-11-6-7-14(18)13(9-11)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H
InChIKeyHPEAVEFXEAHQGP-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.22
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol

(5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol (PubChem CID 79742263) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol
PubChem CID79742263
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name(5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol
SMILESOC(c1cc(Br)ccc1F)c1cccc2cccnc12
InChIInChI=1S/C16H11BrFNO/c17-11-6-7-14(18)13(9-11)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H
InChIKeyHPEAVEFXEAHQGP-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)-quinoxalin-5-ylmethanol
CID 105113707
(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
CID 82704162
(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
CID 81216271
(2-bromo-5-chlorophenyl)-quinolin-8-ylmethanol
CID 81215844
(5-bromo-2-fluorophenyl)-naphthalen-1-ylmethanol
CID 63894699
(5-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 81215821
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
(2,4-dimethylphenyl)-quinolin-8-ylmethanol
CID 62875063
(5-bromo-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82805632
(5-bromo-2-fluorophenyl)-quinoxalin-2-ylmethanol
CID 107357691
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(2-chloro-3-methylphenyl)-quinolin-8-ylmethanol
CID 115826971

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol (CID 79742263) is (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol is OC(c1cc(Br)ccc1F)c1cccc2cccnc12.
What is the InChIKey of (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol?
The InChIKey is HPEAVEFXEAHQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-11-6-7-14(18)13(9-11)16(20)12-5-1-3-10-4-2-8-19-15(10)12/h1-9,16,20H.
What are the key properties of (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol?
(5-bromo-2-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 (5-bromo-2-fluorophenyl)-quinolin-8-ylmethanol is sourced from PubChem (CID 79742263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).