5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol

C8H7BrF3NO2 — CID 130111911

IUPAC5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
SMILESCc1ncc(O)c(OC(F)(F)F)c1CBr
InChIInChI=1S/C8H7BrF3NO2/c1-4-5(2-9)7(6(14)3-13-4)15-8(10,11)12/h3,14H,2H2,1H3
InChIKeyFNWOYTXOHFOWNP-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.89
Rot. Bonds2

About 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol

5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130111911) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
PubChem CID130111911
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
SMILESCc1ncc(O)c(OC(F)(F)F)c1CBr
InChIInChI=1S/C8H7BrF3NO2/c1-4-5(2-9)7(6(14)3-13-4)15-8(10,11)12/h3,14H,2H2,1H3
InChIKeyFNWOYTXOHFOWNP-UHFFFAOYSA-N
XLogP2.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-hydroxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680979
3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113341
3-(bromomethyl)-4-methoxy-2-methyl-5-(trifluoromethoxy)pyridine
CID 130113335
4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 130111744
4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-3-ol
CID 130111742
4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130112441
2-[4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660623
6-methyl-4-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 130111846
6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111106
5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-ol
CID 130083707
ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665521
ethyl 3-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134664441

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol (CID 130111911) is 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol is Cc1ncc(O)c(OC(F)(F)F)c1CBr.
What is the InChIKey of 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is FNWOYTXOHFOWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c1-4-5(2-9)7(6(14)3-13-4)15-8(10,11)12/h3,14H,2H2,1H3.
What are the key properties of 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol?
5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 286.05 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130111911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).