(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol

C16H11BrFNO — CID 107954092

IUPAC(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
SMILESOC(c1ccc2cccnc2c1)c1cccc(Br)c1F
InChIInChI=1S/C16H11BrFNO/c17-13-5-1-4-12(15(13)18)16(20)11-7-6-10-3-2-8-19-14(10)9-11/h1-9,16,20H
InChIKeyWYAHHUQVDSTAMC-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.22
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol

(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol (PubChem CID 107954092) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
PubChem CID107954092
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
SMILESOC(c1ccc2cccnc2c1)c1cccc(Br)c1F
InChIInChI=1S/C16H11BrFNO/c17-13-5-1-4-12(15(13)18)16(20)11-7-6-10-3-2-8-19-14(10)9-11/h1-9,16,20H
InChIKeyWYAHHUQVDSTAMC-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

(2-bromophenyl)-quinolin-7-ylmethanol
CID 81216340
(2-bromo-3-fluorophenyl)-quinolin-7-ylmethanol
CID 115827043
(2-bromo-6-fluorophenyl)-quinolin-7-ylmethanol
CID 114885774
(5-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 81215821
(2-chlorophenyl)-quinolin-7-ylmethanol
CID 81216556
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
CID 115826770
(5-bromo-2-methylphenyl)-quinolin-7-ylmethanol
CID 115827006
(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol
CID 106645159
(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
CID 81216271
(3-bromothiophen-2-yl)-quinolin-7-ylmethanol
CID 113298220
(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
CID 107512228
[(3-bromo-2-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 106648882

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol (CID 107954092) is (3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol is OC(c1ccc2cccnc2c1)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol?
The InChIKey is WYAHHUQVDSTAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-13-5-1-4-12(15(13)18)16(20)11-7-6-10-3-2-8-19-14(10)9-11/h1-9,16,20H.
What are the key properties of (3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol?
(3-bromo-2-fluorophenyl)-quinolin-7-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-2-fluorophenyl)-quinolin-7-ylmethanol is sourced from PubChem (CID 107954092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).