3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine

C12H6ClF3INO — CID 63529961

IUPAC3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccccc2I)c(Cl)c1
InChIInChI=1S/C12H6ClF3INO/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h1-6H
InChIKeyJBOFLESHARHQRX-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.15
Rot. Bonds2

About 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine (PubChem CID 63529961) has the molecular formula C12H6ClF3INO and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
PubChem CID63529961
Molecular FormulaC12H6ClF3INO
Molecular Weight399.54 g/mol
Exact Mass398.91
IUPAC Name3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2ccccc2I)c(Cl)c1
InChIInChI=1S/C12H6ClF3INO/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h1-6H
InChIKeyJBOFLESHARHQRX-UHFFFAOYSA-N
XLogP5.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-(diaminomethylidene)guanidine
CID 168601907
3-chloro-2-[2-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 168524801
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione
CID 168516283
5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine
CID 79727918
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
4-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]dithiazol-5-imine
CID 2769042
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
CID 1487270
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-2-iodobenzamide
CID 74767005
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluoroaniline
CID 76851699
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine (CID 63529961) is 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2ccccc2I)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is JBOFLESHARHQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3INO/c13-8-5-7(12(14,15)16)6-18-11(8)19-10-4-2-1-3-9(10)17/h1-6H.
What are the key properties of 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 399.54 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 63529961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).