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

C17H8Cl4FN — CID 133090739

IUPAC3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
SMILESFc1c(-c2cccc(Cl)c2Cl)cncc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H8Cl4FN/c18-13-5-1-3-9(15(13)20)11-7-23-8-12(17(11)22)10-4-2-6-14(19)16(10)21/h1-8H
InChIKeyHKVVBMHWEJYILY-UHFFFAOYSA-N
MW387.07 g/mol
LogP7.17
Rot. Bonds2

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

3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine (PubChem CID 133090739) has the molecular formula C17H8Cl4FN and a molecular weight of 387.07 g/mol. Its IUPAC name is 3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine.

Molecular Properties

Compound Name3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
PubChem CID133090739
Molecular FormulaC17H8Cl4FN
Molecular Weight387.07 g/mol
Exact Mass384.94
IUPAC Name3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
SMILESFc1c(-c2cccc(Cl)c2Cl)cncc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C17H8Cl4FN/c18-13-5-1-3-9(15(13)20)11-7-23-8-12(17(11)22)10-4-2-6-14(19)16(10)21/h1-8H
InChIKeyHKVVBMHWEJYILY-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

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Related Compounds

4-chloro-3-(2,3-dichlorophenyl)pyridine
CID 118828416
3-(2,3-dichlorophenyl)-5-fluoropyridine
CID 133090720
3-chloro-5-(2,3-dichlorophenyl)-4-(difluoromethoxy)pyridine
CID 133088180
4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine
CID 133091201
3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
CID 103695282
4-chloro-8-(2,3-dichlorophenyl)-1,6-naphthyridine-3-carboxylic acid
CID 175541558
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
5-(2,3-dichlorophenyl)pyrimidine-4-carbonitrile
CID 175882707
3-(2,3-dichlorophenyl)-5-methylpyridine
CID 143008632
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
2-(2,3-dichlorophenyl)-6-phenylpyrazine
CID 68675412

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine?
The IUPAC name of 3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine (CID 133090739) is 3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine.
What is the SMILES notation for 3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine?
The canonical SMILES for 3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine is Fc1c(-c2cccc(Cl)c2Cl)cncc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine?
The InChIKey is HKVVBMHWEJYILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl4FN/c18-13-5-1-3-9(15(13)20)11-7-23-8-12(17(11)22)10-4-2-6-14(19)16(10)21/h1-8H.
What are the key properties of 3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine?
3,5-bis(2,3-dichlorophenyl)-4-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 3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine is sourced from PubChem (CID 133090739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).