5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde

C8H4F5NO2 — CID 130085432

IUPAC5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(C(F)(F)F)c1O
InChIInChI=1S/C8H4F5NO2/c9-7(10)3-1-14-6(8(11,12)13)5(16)4(3)2-15/h1-2,7,16H
InChIKeyRIMPETZDNMNELC-UHFFFAOYSA-N
MW241.11 g/mol
LogP2.56
Rot. Bonds2

About 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde

5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 130085432) has the molecular formula C8H4F5NO2 and a molecular weight of 241.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID130085432
Molecular FormulaC8H4F5NO2
Molecular Weight241.11 g/mol
Exact Mass241.02
IUPAC Name5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESO=Cc1c(C(F)F)cnc(C(F)(F)F)c1O
InChIInChI=1S/C8H4F5NO2/c9-7(10)3-1-14-6(8(11,12)13)5(16)4(3)2-15/h1-2,7,16H
InChIKeyRIMPETZDNMNELC-UHFFFAOYSA-N
XLogP2.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-4-iodo-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087740
5-(difluoromethyl)-4-formyl-3-hydroxypyridine-2-carbonitrile
CID 130076826
2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812
5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol
CID 133102771
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130085430
[4-formyl-5-hydroxy-6-(trifluoromethyl)-3-pyridinyl]methyl dihydrogen phosphate
CID 162599406
5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133084494
3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 130087741
5-(difluoromethyl)-2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133099508
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134659071
4-(difluoromethyl)-5-formyl-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106396
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde (CID 130085432) is 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde is O=Cc1c(C(F)F)cnc(C(F)(F)F)c1O.
What is the InChIKey of 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is RIMPETZDNMNELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c9-7(10)3-1-14-6(8(11,12)13)5(16)4(3)2-15/h1-2,7,16H.
What are the key properties of 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde?
5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 241.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-hydroxy-2-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 130085432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).