4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine

C17H8Cl4FN — CID 133091201

IUPAC4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine
SMILESFc1cc(-c2cccc(Cl)c2Cl)c(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C17H8Cl4FN/c18-13-5-1-3-9(16(13)20)11-7-15(22)23-8-12(11)10-4-2-6-14(19)17(10)21/h1-8H
InChIKeyFIRMUBSLOJMVFP-UHFFFAOYSA-N
MW387.07 g/mol
LogP7.17
Rot. Bonds2

About 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine

4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine (PubChem CID 133091201) has the molecular formula C17H8Cl4FN and a molecular weight of 387.07 g/mol. Its IUPAC name is 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine.

Molecular Properties

Compound Name4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine
PubChem CID133091201
Molecular FormulaC17H8Cl4FN
Molecular Weight387.07 g/mol
Exact Mass384.94
IUPAC Name4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine
SMILESFc1cc(-c2cccc(Cl)c2Cl)c(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C17H8Cl4FN/c18-13-5-1-3-9(16(13)20)11-7-15(22)23-8-12(11)10-4-2-6-14(19)17(10)21/h1-8H
InChIKeyFIRMUBSLOJMVFP-UHFFFAOYSA-N
XLogP7.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.07
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
6-fluoro-4-(2,3,4-trichlorophenyl)pyridin-3-ol
CID 133092229
5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
CID 133090767
2-(2,3-dichlorophenyl)-5-fluoropyridin-3-amine
CID 130088674
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
2-[3-(2,3-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094483
4-(2,3-dichlorophenyl)-2-fluoropyridin-3-ol
CID 118852451
1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene
CID 119017251
2-(2,3-dichlorophenyl)-3-fluoropyridine
CID 118819260
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
4-chloro-3-(2,3-dichlorophenyl)pyridine
CID 118828416

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine?
The IUPAC name of 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine (CID 133091201) is 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine.
What is the SMILES notation for 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine?
The canonical SMILES for 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine is Fc1cc(-c2cccc(Cl)c2Cl)c(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine?
The InChIKey is FIRMUBSLOJMVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl4FN/c18-13-5-1-3-9(16(13)20)11-7-15(22)23-8-12(11)10-4-2-6-14(19)17(10)21/h1-8H.
What are the key properties of 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine?
4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine has a molecular weight of 387.07 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine is sourced from PubChem (CID 133091201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).