3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde

C13H7F4NO — CID 88932507

IUPAC3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1nc(-c2cccc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C13H7F4NO/c14-10-4-5-11(18-12(10)7-19)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChIKeyOWODKKVQRWLKGV-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.72
Rot. Bonds2

About 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde

3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde (PubChem CID 88932507) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
PubChem CID88932507
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
SMILESO=Cc1nc(-c2cccc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C13H7F4NO/c14-10-4-5-11(18-12(10)7-19)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChIKeyOWODKKVQRWLKGV-UHFFFAOYSA-N
XLogP3.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-fluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 133089809
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetaldehyde
CID 87368454
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 133089648
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582
3-nitro-2,6-bis[3-(trifluoromethyl)phenyl]pyridine
CID 134618277
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
[2-fluoro-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089796
2-fluoro-5-[[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]phenol
CID 166636425
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
The IUPAC name of 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde (CID 88932507) is 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
The canonical SMILES for 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde is O=Cc1nc(-c2cccc(C(F)(F)F)c2)ccc1F.
What is the InChIKey of 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
The InChIKey is OWODKKVQRWLKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-10-4-5-11(18-12(10)7-19)8-2-1-3-9(6-8)13(15,16)17/h1-7H.
What are the key properties of 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde?
3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde has a molecular weight of 269.20 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 88932507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).