(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol

C16H10BrF2NO — CID 106945108

IUPAC(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol
SMILESOC(c1c(F)ccc(Br)c1F)c1cccc2ncccc12
InChIInChI=1S/C16H10BrF2NO/c17-11-6-7-12(18)14(15(11)19)16(21)10-3-1-5-13-9(10)4-2-8-20-13/h1-8,16,21H
InChIKeyKWGSAWRYMADWCH-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.36
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol

(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol (PubChem CID 106945108) has the molecular formula C16H10BrF2NO and a molecular weight of 350.16 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol
PubChem CID106945108
Molecular FormulaC16H10BrF2NO
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol
SMILESOC(c1c(F)ccc(Br)c1F)c1cccc2ncccc12
InChIInChI=1S/C16H10BrF2NO/c17-11-6-7-12(18)14(15(11)19)16(21)10-3-1-5-13-9(10)4-2-8-20-13/h1-8,16,21H
InChIKeyKWGSAWRYMADWCH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
(3,5-dibromophenyl)-quinolin-5-ylmethanol
CID 107978579
(3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol
CID 107103554
(1R)-1-quinolin-5-ylethanol
CID 86326294
quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 115826290
(5-bromoquinolin-8-yl)-(2,3-difluorophenyl)methanol
CID 115959915
[(4-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326969
[(2-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326935
(4-iodophenyl)-quinolin-5-ylmethanol
CID 115826358
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191
(5-bromo-4-methylthiophen-2-yl)-quinolin-5-ylmethanol
CID 115826296

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol (CID 106945108) is (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol is OC(c1c(F)ccc(Br)c1F)c1cccc2ncccc12.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol?
The InChIKey is KWGSAWRYMADWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO/c17-11-6-7-12(18)14(15(11)19)16(21)10-3-1-5-13-9(10)4-2-8-20-13/h1-8,16,21H.
What are the key properties of (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol?
(3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol 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 (3-bromo-2,6-difluorophenyl)-quinolin-5-ylmethanol is sourced from PubChem (CID 106945108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).