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

C13H7F4NO — CID 133089648

IUPAC6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(F)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H7F4NO/c14-11-5-4-9(7-19)12(18-11)8-2-1-3-10(6-8)13(15,16)17/h1-7H
InChIKeyLHGMKIROFRJOAS-UHFFFAOYSA-N
MW269.20 g/mol
LogP3.72
Rot. Bonds2

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

6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (PubChem CID 133089648) has the molecular formula C13H7F4NO and a molecular weight of 269.20 g/mol. Its IUPAC name is 6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
PubChem CID133089648
Molecular FormulaC13H7F4NO
Molecular Weight269.20 g/mol
Exact Mass269.05
IUPAC Name6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(F)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H7F4NO/c14-11-5-4-9(7-19)12(18-11)8-2-1-3-10(6-8)13(15,16)17/h1-7H
InChIKeyLHGMKIROFRJOAS-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-[3-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 133089606
2-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 133089773
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
3-fluoro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 88932507
2,3,5-trifluoro-6-[3-(trifluoromethyl)phenyl]pyridine
CID 118803789
1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 43328598
methyl 6-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 133089907
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
3-[3-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134621665
3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carbaldehyde
CID 62111840
4-(trifluoromethyl)phthalaldehyde
CID 23496648
2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
CID 175968223

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde (CID 133089648) is 6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is O=Cc1ccc(F)nc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
The InChIKey is LHGMKIROFRJOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO/c14-11-5-4-9(7-19)12(18-11)8-2-1-3-10(6-8)13(15,16)17/h1-7H.
What are the key properties of 6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde?
6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-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 6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 133089648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).