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

C8H7BrF3NO3 — CID 130111744

IUPAC4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
SMILESCOc1ncc(O)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO3/c1-15-7-6(16-8(10,11)12)4(2-9)5(14)3-13-7/h3,14H,2H2,1H3
InChIKeyHIENGIPNNMIMMS-UHFFFAOYSA-N
MW302.05 g/mol
LogP2.59
Rot. Bonds3

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

4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130111744) has the molecular formula C8H7BrF3NO3 and a molecular weight of 302.05 g/mol. Its IUPAC name is 4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
PubChem CID130111744
Molecular FormulaC8H7BrF3NO3
Molecular Weight302.05 g/mol
Exact Mass300.96
IUPAC Name4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
SMILESCOc1ncc(O)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C8H7BrF3NO3/c1-15-7-6(16-8(10,11)12)4(2-9)5(14)3-13-7/h3,14H,2H2,1H3
InChIKeyHIENGIPNNMIMMS-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

4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-3-ol
CID 130111742
4-(bromomethyl)-2-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134665360
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
CID 134675551
5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111911
4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130112441
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
2-[4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660623
2-[4-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134659144
2-[5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134672104
3-(bromomethyl)-5-methoxy-2-methyl-4-(trifluoromethoxy)pyridine
CID 130113341
[5-(bromomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134661940

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol (CID 130111744) is 4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol is COc1ncc(O)c(CBr)c1OC(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is HIENGIPNNMIMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO3/c1-15-7-6(16-8(10,11)12)4(2-9)5(14)3-13-7/h3,14H,2H2,1H3.
What are the key properties of 4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol?
4-(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 4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130111744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).