5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol

C8H5BrF5NO2 — CID 134666693

IUPAC5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
SMILESOc1cc(CBr)c(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C8H5BrF5NO2/c9-2-3-1-4(16)5(6(10)11)15-7(3)17-8(12,13)14/h1,6,16H,2H2
InChIKeyCJWHXNOYBPWGDO-UHFFFAOYSA-N
MW322.03 g/mol
LogP3.52
Rot. Bonds3

About 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol

5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol (PubChem CID 134666693) has the molecular formula C8H5BrF5NO2 and a molecular weight of 322.03 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
PubChem CID134666693
Molecular FormulaC8H5BrF5NO2
Molecular Weight322.03 g/mol
Exact Mass320.94
IUPAC Name5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
SMILESOc1cc(CBr)c(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C8H5BrF5NO2/c9-2-3-1-4(16)5(6(10)11)15-7(3)17-8(12,13)14/h1,6,16H,2H2
InChIKeyCJWHXNOYBPWGDO-UHFFFAOYSA-N
XLogP3.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.03
LogP ≤ 53.52
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

methyl 2-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
2-[5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 165342409
methyl 5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663610
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118842664
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
4-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134672595
2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085033
5-(bromomethyl)-3-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 119013970
5-(bromomethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
CID 130079432
5-(bromomethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679397
6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 118826346
5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130110887

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol (CID 134666693) is 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol is Oc1cc(CBr)c(OC(F)(F)F)nc1C(F)F.
What is the InChIKey of 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is CJWHXNOYBPWGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5NO2/c9-2-3-1-4(16)5(6(10)11)15-7(3)17-8(12,13)14/h1,6,16H,2H2.
What are the key properties of 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol?
5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 322.03 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 134666693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).