[4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol

C17H10Br2F3NO — CID 71602437

IUPAC[4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1c(C(F)(F)F)nc2ccc(Br)cc2c1Br
InChIInChI=1S/C17H10Br2F3NO/c18-10-6-7-12-11(8-10)14(19)13(16(23-12)17(20,21)22)15(24)9-4-2-1-3-5-9/h1-8,15,24H
InChIKeyGHIPTOATJAIBQT-UHFFFAOYSA-N
MW461.08 g/mol
LogP5.86
Rot. Bonds2

About [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol

[4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol (PubChem CID 71602437) has the molecular formula C17H10Br2F3NO and a molecular weight of 461.08 g/mol. Its IUPAC name is [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol
PubChem CID71602437
Molecular FormulaC17H10Br2F3NO
Molecular Weight461.08 g/mol
Exact Mass458.91
IUPAC Name[4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1c(C(F)(F)F)nc2ccc(Br)cc2c1Br
InChIInChI=1S/C17H10Br2F3NO/c18-10-6-7-12-11(8-10)14(19)13(16(23-12)17(20,21)22)15(24)9-4-2-1-3-5-9/h1-8,15,24H
InChIKeyGHIPTOATJAIBQT-UHFFFAOYSA-N
XLogP5.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.08
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol?
The IUPAC name of [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol (CID 71602437) is [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol.
What is the SMILES notation for [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol?
The canonical SMILES for [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol is OC(c1ccccc1)c1c(C(F)(F)F)nc2ccc(Br)cc2c1Br.
What is the InChIKey of [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol?
The InChIKey is GHIPTOATJAIBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2F3NO/c18-10-6-7-12-11(8-10)14(19)13(16(23-12)17(20,21)22)15(24)9-4-2-1-3-5-9/h1-8,15,24H.
What are the key properties of [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol?
[4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol has a molecular weight of 461.08 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol is sourced from PubChem (CID 71602437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).