2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine

C12H5F5IN — CID 118819254

IUPAC2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine
SMILESFc1cccc(-c2cc(I)c(C(F)(F)F)cn2)c1F
InChIInChI=1S/C12H5F5IN/c13-8-3-1-2-6(11(8)14)10-4-9(18)7(5-19-10)12(15,16)17/h1-5H
InChIKeyRNLAMDDOIHVMAU-UHFFFAOYSA-N
MW385.07 g/mol
LogP4.65
Rot. Bonds1

About 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine

2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine (PubChem CID 118819254) has the molecular formula C12H5F5IN and a molecular weight of 385.07 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine
PubChem CID118819254
Molecular FormulaC12H5F5IN
Molecular Weight385.07 g/mol
Exact Mass384.94
IUPAC Name2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine
SMILESFc1cccc(-c2cc(I)c(C(F)(F)F)cn2)c1F
InChIInChI=1S/C12H5F5IN/c13-8-3-1-2-6(11(8)14)10-4-9(18)7(5-19-10)12(15,16)17/h1-5H
InChIKeyRNLAMDDOIHVMAU-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.07
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine (CID 118819254) is 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine is Fc1cccc(-c2cc(I)c(C(F)(F)F)cn2)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine?
The InChIKey is RNLAMDDOIHVMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5IN/c13-8-3-1-2-6(11(8)14)10-4-9(18)7(5-19-10)12(15,16)17/h1-5H.
What are the key properties of 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine?
2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine has a molecular weight of 385.07 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-iodo-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 118819254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).