[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol

C13H9BrF3NO3 — CID 102714933

IUPAC[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
SMILESOCc1cnccc1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H9BrF3NO3/c14-10-5-9(1-2-12(10)21-13(15,16)17)20-11-3-4-18-6-8(11)7-19/h1-6,19H,7H2
InChIKeyDNYLTWZNVYSDPU-UHFFFAOYSA-N
MW364.12 g/mol
LogP4.03
Rot. Bonds4

About [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol

[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol (PubChem CID 102714933) has the molecular formula C13H9BrF3NO3 and a molecular weight of 364.12 g/mol. Its IUPAC name is [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
PubChem CID102714933
Molecular FormulaC13H9BrF3NO3
Molecular Weight364.12 g/mol
Exact Mass362.97
IUPAC Name[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
SMILESOCc1cnccc1Oc1ccc(OC(F)(F)F)c(Br)c1
InChIInChI=1S/C13H9BrF3NO3/c14-10-5-9(1-2-12(10)21-13(15,16)17)20-11-3-4-18-6-8(11)7-19/h1-6,19H,7H2
InChIKeyDNYLTWZNVYSDPU-UHFFFAOYSA-N
XLogP4.03
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.12
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 81237603
(4-phenoxy-3-pyridinyl)methanol
CID 67434840
[4-(3,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 81237951
2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethanol
CID 102674568
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-3,5-difluoropyridine
CID 102714035
3-[3-bromo-4-(trifluoromethoxy)phenoxy]propan-1-ol
CID 102674553
[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol
CID 81239132
4-[3-bromo-4-(trifluoromethoxy)phenyl]pyridine;4-[4-(trifluoromethoxy)phenyl]pyridine
CID 158192598
[6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 119005700
2-[3-bromo-4-(trifluoromethoxy)phenoxy]-5-methylaniline
CID 102713939
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
CID 102715111
3-bromo-4-(3-bromo-4-fluorophenoxy)pyridine
CID 104776674

Frequently Asked Questions

What is the IUPAC name of [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol?
The IUPAC name of [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol (CID 102714933) is [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol.
What is the SMILES notation for [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol?
The canonical SMILES for [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol is OCc1cnccc1Oc1ccc(OC(F)(F)F)c(Br)c1.
What is the InChIKey of [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol?
The InChIKey is DNYLTWZNVYSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO3/c14-10-5-9(1-2-12(10)21-13(15,16)17)20-11-3-4-18-6-8(11)7-19/h1-6,19H,7H2.
What are the key properties of [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol?
[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol has a molecular weight of 364.12 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol is sourced from PubChem (CID 102714933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).