2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine

C12H7F3INO — CID 134620549

IUPAC2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccccc1-c1cccc(I)n1
InChIInChI=1S/C12H7F3INO/c13-12(14,15)18-10-6-2-1-4-8(10)9-5-3-7-11(16)17-9/h1-7H
InChIKeyPPHBYSGPZPPPDM-UHFFFAOYSA-N
MW365.09 g/mol
LogP4.25
Rot. Bonds2

About 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine

2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine (PubChem CID 134620549) has the molecular formula C12H7F3INO and a molecular weight of 365.09 g/mol. Its IUPAC name is 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine
PubChem CID134620549
Molecular FormulaC12H7F3INO
Molecular Weight365.09 g/mol
Exact Mass364.95
IUPAC Name2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1ccccc1-c1cccc(I)n1
InChIInChI=1S/C12H7F3INO/c13-12(14,15)18-10-6-2-1-4-8(10)9-5-3-7-11(16)17-9/h1-7H
InChIKeyPPHBYSGPZPPPDM-UHFFFAOYSA-N
XLogP4.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611
5-iodo-2-[2-(trifluoromethoxy)phenyl]pyridine
CID 134630200
2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
CID 162334552
methyl 6-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyridine-2-carboxylate
CID 58774798
2,4-dimethyl-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 119020699
4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 58774782
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133089327
3-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazole
CID 137332624
2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133093995
1,3-difluoro-2-[2-(trifluoromethoxy)phenyl]benzene
CID 22617307

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine (CID 134620549) is 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1ccccc1-c1cccc(I)n1.
What is the InChIKey of 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is PPHBYSGPZPPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3INO/c13-12(14,15)18-10-6-2-1-4-8(10)9-5-3-7-11(16)17-9/h1-7H.
What are the key properties of 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine?
2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 365.09 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 134620549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).