(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol

C16H10BrF2NO — CID 115959949

IUPAC(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc(Br)c2cccnc12
InChIInChI=1S/C16H10BrF2NO/c17-12-5-4-11(15-10(12)2-1-7-20-15)16(21)9-3-6-13(18)14(19)8-9/h1-8,16,21H
InChIKeyLRDUNJSJOVYNEY-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.36
Rot. Bonds2

About (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol

(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol (PubChem CID 115959949) has the molecular formula C16H10BrF2NO and a molecular weight of 350.16 g/mol. Its IUPAC name is (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol
PubChem CID115959949
Molecular FormulaC16H10BrF2NO
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1ccc(Br)c2cccnc12
InChIInChI=1S/C16H10BrF2NO/c17-12-5-4-11(15-10(12)2-1-7-20-15)16(21)9-3-6-13(18)14(19)8-9/h1-8,16,21H
InChIKeyLRDUNJSJOVYNEY-UHFFFAOYSA-N
XLogP4.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromoquinolin-8-yl)-(2,3-difluorophenyl)methanol
CID 115959915
(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
CID 81216271
(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol
CID 115959972
(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol
CID 81436370
2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
CID 112618353
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
2-[(5-bromoquinolin-8-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 115960370
(5-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 81215821
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021

Frequently Asked Questions

What is the IUPAC name of (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol (CID 115959949) is (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol is OC(c1ccc(F)c(F)c1)c1ccc(Br)c2cccnc12.
What is the InChIKey of (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol?
The InChIKey is LRDUNJSJOVYNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO/c17-12-5-4-11(15-10(12)2-1-7-20-15)16(21)9-3-6-13(18)14(19)8-9/h1-8,16,21H.
What are the key properties of (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol?
(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol has a molecular weight of 350.16 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 115959949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).