2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde

C7H5F4NO — CID 142793309

IUPAC2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
SMILESO=CC1=CC(F)(C(F)(F)F)NC=C1
InChIInChI=1S/C7H5F4NO/c8-6(7(9,10)11)3-5(4-13)1-2-12-6/h1-4,12H
InChIKeyVHMYLXGLWSQKNH-UHFFFAOYSA-N
MW195.12 g/mol
LogP1.46
Rot. Bonds1

About 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde

2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde (PubChem CID 142793309) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
PubChem CID142793309
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
SMILESO=CC1=CC(F)(C(F)(F)F)NC=C1
InChIInChI=1S/C7H5F4NO/c8-6(7(9,10)11)3-5(4-13)1-2-12-6/h1-4,12H
InChIKeyVHMYLXGLWSQKNH-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-1H-pyridine-2-carbaldehyde
CID 87209225
2-Fluoro-1,2-dihydropyridine-4-carbaldehyde
CID 90261481
2-fluoro-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 150478394
(E)-3-[5-fluoro-3-(trifluoromethylamino)cyclohexa-1,5-dien-1-yl]prop-2-enal
CID 155108238
Ethane;2-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602671
Ethane;6-(trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602785
2-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
CID 176295079
2-Hydroxy-5-(trifluoromethyl)isonicotinaldehyde
CID 118704367
5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbaldehyde
CID 130097176
2-(Trifluoromethyl)-1,2-dihydropyridine-5-carbaldehyde
CID 162608614
2-(Trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602672
6-(Trifluoromethyl)-1,2-dihydropyridine-4-carbaldehyde
CID 164602786

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde?
The IUPAC name of 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde (CID 142793309) is 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde.
What is the SMILES notation for 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde?
The canonical SMILES for 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde is O=CC1=CC(F)(C(F)(F)F)NC=C1.
What is the InChIKey of 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde?
The InChIKey is VHMYLXGLWSQKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-6(7(9,10)11)3-5(4-13)1-2-12-6/h1-4,12H.
What are the key properties of 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde?
2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde has a molecular weight of 195.12 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(trifluoromethyl)-1H-pyridine-4-carbaldehyde is sourced from PubChem (CID 142793309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).