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

C7H3F4NO3 — CID 131364675

IUPAC5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)c(OC(F)(F)F)c1O
InChIInChI=1S/C7H3F4NO3/c8-3-1-12-4(2-13)5(14)6(3)15-7(9,10)11/h1-2,14H
InChIKeyCGHAZXSDIGRLQW-UHFFFAOYSA-N
MW225.10 g/mol
LogP1.64
Rot. Bonds2

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

5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 131364675) has the molecular formula C7H3F4NO3 and a molecular weight of 225.10 g/mol. Its IUPAC name is 5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID131364675
Molecular FormulaC7H3F4NO3
Molecular Weight225.10 g/mol
Exact Mass225.00
IUPAC Name5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ncc(F)c(OC(F)(F)F)c1O
InChIInChI=1S/C7H3F4NO3/c8-3-1-12-4(2-13)5(14)6(3)15-7(9,10)11/h1-2,14H
InChIKeyCGHAZXSDIGRLQW-UHFFFAOYSA-N
XLogP1.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134659071
4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130112441
4-iodo-5-methoxy-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134660144
3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130113208
4-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134665245
5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 134667822
5-fluoro-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130092237
4-methyl-5-nitro-3-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677349
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130085430
[5-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680899
3-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 131871409
4-bromo-5-fluoro-2-(trifluoromethoxy)pyridin-3-ol
CID 118851239

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 131364675) is 5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde is O=Cc1ncc(F)c(OC(F)(F)F)c1O.
What is the InChIKey of 5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is CGHAZXSDIGRLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO3/c8-3-1-12-4(2-13)5(14)6(3)15-7(9,10)11/h1-2,14H.
What are the key properties of 5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde?
5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde has a molecular weight of 225.10 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 131364675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).