2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine

C11H3F6N — CID 133088728

IUPAC2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESFc1cc(-c2c(F)c(F)c(F)c(F)c2F)ccn1
InChIInChI=1S/C11H3F6N/c12-5-3-4(1-2-18-5)6-7(13)9(15)11(17)10(16)8(6)14/h1-3H
InChIKeyQVBBPTHOWGBGCE-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.58
Rot. Bonds1

About 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine

2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine (PubChem CID 133088728) has the molecular formula C11H3F6N and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine
PubChem CID133088728
Molecular FormulaC11H3F6N
Molecular Weight263.14 g/mol
Exact Mass263.02
IUPAC Name2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine
SMILESFc1cc(-c2c(F)c(F)c(F)c(F)c2F)ccn1
InChIInChI=1S/C11H3F6N/c12-5-3-4(1-2-18-5)6-7(13)9(15)11(17)10(16)8(6)14/h1-3H
InChIKeyQVBBPTHOWGBGCE-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(4-fluorophenyl)pyridine
CID 46312736
2-bromo-6-(2-fluoro-4-pyridinyl)pyridine
CID 71480002
4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine
CID 132917715
4-(2-bromophenyl)-2-fluoropyridine
CID 168810872
4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine
CID 87660487
4-(2-bromo-5,6-difluoro-3-propan-2-ylphenyl)-2-fluoropyridine;3,4-difluoro-2-(2-fluoro-4-pyridinyl)-6-propan-2-ylaniline
CID 167676009
4-(2-fluoro-4-pyridinyl)benzoic acid
CID 155289889
2-(2-fluoro-4-pyridinyl)benzene-1,4-diamine
CID 18415383
4-(4,5-dimethylthiophen-2-yl)-2-fluoropyridine
CID 58095055
7-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyridine
CID 121014694
[2-(2-fluoro-4-pyridinyl)phenyl]methanamine
CID 71114270
3-(2-fluoro-4-pyridinyl)-6-methylpyridin-2-amine
CID 50978797

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine?
The IUPAC name of 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine (CID 133088728) is 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine.
What is the SMILES notation for 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine?
The canonical SMILES for 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine is Fc1cc(-c2c(F)c(F)c(F)c(F)c2F)ccn1.
What is the InChIKey of 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine?
The InChIKey is QVBBPTHOWGBGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F6N/c12-5-3-4(1-2-18-5)6-7(13)9(15)11(17)10(16)8(6)14/h1-3H.
What are the key properties of 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine?
2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine has a molecular weight of 263.14 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2,3,4,5,6-pentafluorophenyl)pyridine is sourced from PubChem (CID 133088728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).