2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine

C13H6F6IN — CID 134620536

IUPAC2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cnc(I)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H6F6IN/c14-12(15,16)7-5-9(11(20)21-6-7)8-3-1-2-4-10(8)13(17,18)19/h1-6H
InChIKeyDDASUBBPFUHPNV-UHFFFAOYSA-N
MW417.09 g/mol
LogP5.39
Rot. Bonds1

About 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine

2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 134620536) has the molecular formula C13H6F6IN and a molecular weight of 417.09 g/mol. Its IUPAC name is 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID134620536
Molecular FormulaC13H6F6IN
Molecular Weight417.09 g/mol
Exact Mass416.94
IUPAC Name2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1cnc(I)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H6F6IN/c14-12(15,16)7-5-9(11(20)21-6-7)8-3-1-2-4-10(8)13(17,18)19/h1-6H
InChIKeyDDASUBBPFUHPNV-UHFFFAOYSA-N
XLogP5.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.09
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-fluoro-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine
CID 133089831
2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134628875
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092047
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
4-iodo-2-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 119019022
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 134628859
5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 176828118
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
5-fluoro-2-methoxy-4-[2-(trifluoromethyl)phenyl]pyridine
CID 133089593
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine (CID 134620536) is 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cnc(I)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is DDASUBBPFUHPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6IN/c14-12(15,16)7-5-9(11(20)21-6-7)8-3-1-2-4-10(8)13(17,18)19/h1-6H.
What are the key properties of 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine?
2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 417.09 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134620536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).