2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine

C12H6F4IN — CID 133089573

IUPAC2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine
SMILESFc1ncc(-c2ccc(C(F)(F)F)cc2)cc1I
InChIInChI=1S/C12H6F4IN/c13-11-10(17)5-8(6-18-11)7-1-3-9(4-2-7)12(14,15)16/h1-6H
InChIKeyKGXKTZWOVIHBOV-UHFFFAOYSA-N
MW367.08 g/mol
LogP4.51
Rot. Bonds1

About 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine

2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 133089573) has the molecular formula C12H6F4IN and a molecular weight of 367.08 g/mol. Its IUPAC name is 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID133089573
Molecular FormulaC12H6F4IN
Molecular Weight367.08 g/mol
Exact Mass366.95
IUPAC Name2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine
SMILESFc1ncc(-c2ccc(C(F)(F)F)cc2)cc1I
InChIInChI=1S/C12H6F4IN/c13-11-10(17)5-8(6-18-11)7-1-3-9(4-2-7)12(14,15)16/h1-6H
InChIKeyKGXKTZWOVIHBOV-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.08
LogP ≤ 54.51
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-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
3,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134623472
2-[4-(trifluoromethyl)phenyl]-5-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]pyridine
CID 169293774
3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 67000967
2-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091895
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134618070
3-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carbaldehyde
CID 134626315
2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine
CID 133089527
3-(4-naphthalen-2-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293864
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562
2-chloro-5-iodo-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119000682

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine (CID 133089573) is 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine is Fc1ncc(-c2ccc(C(F)(F)F)cc2)cc1I.
What is the InChIKey of 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is KGXKTZWOVIHBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4IN/c13-11-10(17)5-8(6-18-11)7-1-3-9(4-2-7)12(14,15)16/h1-6H.
What are the key properties of 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine?
2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 367.08 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 133089573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).