(3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol

C13H9BrF3NO — CID 59824996

IUPAC(3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOC(c1cccc(Br)c1)c1ncccc1C(F)(F)F
InChIInChI=1S/C13H9BrF3NO/c14-9-4-1-3-8(7-9)12(19)11-10(13(15,16)17)5-2-6-18-11/h1-7,12,19H
InChIKeyQWWNYSGWKZKXCF-UHFFFAOYSA-N
MW332.12 g/mol
LogP3.94
Rot. Bonds2

About (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol

(3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 59824996) has the molecular formula C13H9BrF3NO and a molecular weight of 332.12 g/mol. Its IUPAC name is (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name(3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID59824996
Molecular FormulaC13H9BrF3NO
Molecular Weight332.12 g/mol
Exact Mass330.98
IUPAC Name(3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOC(c1cccc(Br)c1)c1ncccc1C(F)(F)F
InChIInChI=1S/C13H9BrF3NO/c14-9-4-1-3-8(7-9)12(19)11-10(13(15,16)17)5-2-6-18-11/h1-7,12,19H
InChIKeyQWWNYSGWKZKXCF-UHFFFAOYSA-N
XLogP3.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol (CID 59824996) is (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol is OC(c1cccc(Br)c1)c1ncccc1C(F)(F)F.
What is the InChIKey of (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is QWWNYSGWKZKXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO/c14-9-4-1-3-8(7-9)12(19)11-10(13(15,16)17)5-2-6-18-11/h1-7,12,19H.
What are the key properties of (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol?
(3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 332.12 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[3-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 59824996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).