4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde

C8H5BrF3NO3 — CID 130112441

IUPAC4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(O)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c9-1-4-6(15)2-13-5(3-14)7(4)16-8(10,11)12/h2-3,15H,1H2
InChIKeyWEUHXUDKSUAHTI-UHFFFAOYSA-N
MW300.03 g/mol
LogP2.39
Rot. Bonds3

About 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde

4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 130112441) has the molecular formula C8H5BrF3NO3 and a molecular weight of 300.03 g/mol. Its IUPAC name is 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID130112441
Molecular FormulaC8H5BrF3NO3
Molecular Weight300.03 g/mol
Exact Mass298.94
IUPAC Name4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(O)c(CBr)c1OC(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c9-1-4-6(15)2-13-5(3-14)7(4)16-8(10,11)12/h2-3,15H,1H2
InChIKeyWEUHXUDKSUAHTI-UHFFFAOYSA-N
XLogP2.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.03
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 130111744
2-[4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660623
5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134667822
4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-3-ol
CID 130111742
5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111911
5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 131364675
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134659071
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
2-[4-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134659144
4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134665245

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 130112441) is 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1ncc(O)c(CBr)c1OC(F)(F)F.
What is the InChIKey of 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is WEUHXUDKSUAHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO3/c9-1-4-6(15)2-13-5(3-14)7(4)16-8(10,11)12/h2-3,15H,1H2.
What are the key properties of 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde?
4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 300.03 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 130112441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).