(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol

C16H10Br2FNO — CID 106645159

IUPAC(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol
SMILESOC(c1cccc(Br)c1F)c1nc2ccccc2cc1Br
InChIInChI=1S/C16H10Br2FNO/c17-11-6-3-5-10(14(11)19)16(21)15-12(18)8-9-4-1-2-7-13(9)20-15/h1-8,16,21H
InChIKeyJYGXKYGRKWOQBL-UHFFFAOYSA-N
MW411.07 g/mol
LogP4.98
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol

(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol (PubChem CID 106645159) has the molecular formula C16H10Br2FNO and a molecular weight of 411.07 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol
PubChem CID106645159
Molecular FormulaC16H10Br2FNO
Molecular Weight411.07 g/mol
Exact Mass408.91
IUPAC Name(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol
SMILESOC(c1cccc(Br)c1F)c1nc2ccccc2cc1Br
InChIInChI=1S/C16H10Br2FNO/c17-11-6-3-5-10(14(11)19)16(21)15-12(18)8-9-4-1-2-7-13(9)20-15/h1-8,16,21H
InChIKeyJYGXKYGRKWOQBL-UHFFFAOYSA-N
XLogP4.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.07
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092
(3-bromo-2-fluorophenyl)-quinolin-2-ylmethanamine
CID 106645567
(3-bromo-2-fluorophenyl)-isoquinolin-4-ylmethanol
CID 106644574
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 86730391
(R)-(3-bromo-2-fluorophenyl)-pyridin-2-ylmethanol
CID 129410436
1-(3-bromoquinolin-2-yl)-2-methylpentan-1-ol
CID 114013472
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102654812
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol (CID 106645159) is (3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol is OC(c1cccc(Br)c1F)c1nc2ccccc2cc1Br.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol?
The InChIKey is JYGXKYGRKWOQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2FNO/c17-11-6-3-5-10(14(11)19)16(21)15-12(18)8-9-4-1-2-7-13(9)20-15/h1-8,16,21H.
What are the key properties of (3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol?
(3-bromo-2-fluorophenyl)-(3-bromoquinolin-2-yl)methanol has a molecular weight of 411.07 g/mol, XLogP of 4.98, 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)-(3-bromoquinolin-2-yl)methanol is sourced from PubChem (CID 106645159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).