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

C8H5BrF3NO3 — CID 130112405

IUPAC6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(O)c(CBr)nc1OC(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c9-2-5-6(15)1-4(3-14)7(13-5)16-8(10,11)12/h1,3,15H,2H2
InChIKeyMNUJJXRZNJDHDD-UHFFFAOYSA-N
MW300.03 g/mol
LogP2.39
Rot. Bonds3

About 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde

6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 130112405) has the molecular formula C8H5BrF3NO3 and a molecular weight of 300.03 g/mol. Its IUPAC name is 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID130112405
Molecular FormulaC8H5BrF3NO3
Molecular Weight300.03 g/mol
Exact Mass298.94
IUPAC Name6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESO=Cc1cc(O)c(CBr)nc1OC(F)(F)F
InChIInChI=1S/C8H5BrF3NO3/c9-2-5-6(15)1-4(3-14)7(13-5)16-8(10,11)12/h1,3,15H,2H2
InChIKeyMNUJJXRZNJDHDD-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

2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridin-3-ol
CID 118826966
2-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118821393
2-(bromomethyl)-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134672483
5-iodo-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134680129
2-[6-(bromomethyl)-5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118855097
5-(bromomethyl)-3-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130110887
6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113178
6-(bromomethyl)-3-hydroxy-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134665868
6-(bromomethyl)-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 134672645
5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134666693
2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680320
2-(bromomethyl)-4-(trifluoromethoxy)benzaldehyde
CID 170997735

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 130112405) is 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde is O=Cc1cc(O)c(CBr)nc1OC(F)(F)F.
What is the InChIKey of 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is MNUJJXRZNJDHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3NO3/c9-2-5-6(15)1-4(3-14)7(13-5)16-8(10,11)12/h1,3,15H,2H2.
What are the key properties of 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde?
6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-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 6-(bromomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 130112405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).