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

C8H7BrF3NO3 — CID 118826966

IUPAC2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
SMILESCOc1nc(CBr)c(O)cc1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO3/c1-15-7-6(16-8(10,11)12)2-5(14)4(3-9)13-7/h2,14H,3H2,1H3
InChIKeyIFWJTEHTSSGKIO-UHFFFAOYSA-N
MW302.05 g/mol
LogP2.59
Rot. Bonds3

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

2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol (PubChem CID 118826966) has the molecular formula C8H7BrF3NO3 and a molecular weight of 302.05 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
PubChem CID118826966
Molecular FormulaC8H7BrF3NO3
Molecular Weight302.05 g/mol
Exact Mass300.96
IUPAC Name2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
SMILESCOc1nc(CBr)c(O)cc1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO3/c1-15-7-6(16-8(10,11)12)2-5(14)4(3-9)13-7/h2,14H,3H2,1H3
InChIKeyIFWJTEHTSSGKIO-UHFFFAOYSA-N
XLogP2.59
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.05
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118821393
6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112405
3-hydroxy-6-methoxy-5-(trifluoromethoxy)pyridine-2-sulfonamide
CID 134659587
2-(bromomethyl)-6-methoxy-5-nitro-3-(trifluoromethoxy)pyridine
CID 118827165
2-[6-methoxy-3-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134667952
ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668134
6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 118826346
2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine
CID 118826924
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390
[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134661918
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898
4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 130111744

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol (CID 118826966) is 2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol is COc1nc(CBr)c(O)cc1OC(F)(F)F.
What is the InChIKey of 2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is IFWJTEHTSSGKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO3/c1-15-7-6(16-8(10,11)12)2-5(14)4(3-9)13-7/h2,14H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol?
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 302.05 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 118826966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).