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

C7H5BrF3NO2 — CID 119005700

IUPAC[6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO2/c8-6-1-5(14-7(9,10)11)4(3-13)2-12-6/h1-2,13H,3H2
InChIKeyVHXPVQFSCVSXHO-UHFFFAOYSA-N
MW272.02 g/mol
LogP2.23
Rot. Bonds2

About [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol

[6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 119005700) has the molecular formula C7H5BrF3NO2 and a molecular weight of 272.02 g/mol. Its IUPAC name is [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID119005700
Molecular FormulaC7H5BrF3NO2
Molecular Weight272.02 g/mol
Exact Mass270.95
IUPAC Name[6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1cnc(Br)cc1OC(F)(F)F
InChIInChI=1S/C7H5BrF3NO2/c8-6-1-5(14-7(9,10)11)4(3-13)2-12-6/h1-2,13H,3H2
InChIKeyVHXPVQFSCVSXHO-UHFFFAOYSA-N
XLogP2.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-bromo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029000
2-bromo-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119015810
[6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 119003837
[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
CID 102714933
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
[3-(trifluoromethoxy)naphthalen-2-yl]methanol
CID 118854447
[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 134662814
5-(aminomethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119001782
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 118827482
5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine
CID 130093298
[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134617951

Frequently Asked Questions

What is the IUPAC name of [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol (CID 119005700) is [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1cnc(Br)cc1OC(F)(F)F.
What is the InChIKey of [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is VHXPVQFSCVSXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO2/c8-6-1-5(14-7(9,10)11)4(3-13)2-12-6/h1-2,13H,3H2.
What are the key properties of [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol?
[6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 272.02 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 119005700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).