(2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol

C17H13BrFNO — CID 115826640

IUPAC(2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3cc(F)ccc3Br)ccc2n1
InChIInChI=1S/C17H13BrFNO/c1-10-2-3-11-8-12(4-7-16(11)20-10)17(21)14-9-13(19)5-6-15(14)18/h2-9,17,21H,1H3
InChIKeyZAGYKVGFBUXRLN-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.53
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol

(2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol (PubChem CID 115826640) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol
PubChem CID115826640
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name(2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3cc(F)ccc3Br)ccc2n1
InChIInChI=1S/C17H13BrFNO/c1-10-2-3-11-8-12(4-7-16(11)20-10)17(21)14-9-13(19)5-6-15(14)18/h2-9,17,21H,1H3
InChIKeyZAGYKVGFBUXRLN-UHFFFAOYSA-N
XLogP4.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-methylphenyl)-(2-methylquinolin-6-yl)methanol
CID 115826569
(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
CID 81270225
(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
CID 81215608
(5-fluoro-2-methylphenyl)-quinolin-6-ylmethanol
CID 63095091
(4-amino-3-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105379142
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(2-methylquinolin-6-yl)-thiophen-2-ylmethanol
CID 81215895
(2-methylquinolin-6-yl)-pyridazin-4-ylmethanol
CID 105118439
(2-bromo-4-fluorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796740
[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine
CID 105193028
(2-methoxy-3-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105118483
(3-methoxy-4-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105066395

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol (CID 115826640) is (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol is Cc1ccc2cc(C(O)c3cc(F)ccc3Br)ccc2n1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol?
The InChIKey is ZAGYKVGFBUXRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c1-10-2-3-11-8-12(4-7-16(11)20-10)17(21)14-9-13(19)5-6-15(14)18/h2-9,17,21H,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol?
(2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol has a molecular weight of 346.20 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2-methylquinolin-6-yl)methanol is sourced from PubChem (CID 115826640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).