3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine

C11H5Cl3FN — CID 133091044

IUPAC3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine
SMILESFc1nccc(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C11H5Cl3FN/c12-8-2-1-6(5-9(8)13)7-3-4-16-11(15)10(7)14/h1-5H
InChIKeyFQGKAYLIUPFAKB-UHFFFAOYSA-N
MW276.53 g/mol
LogP4.85
Rot. Bonds1

About 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine

3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine (PubChem CID 133091044) has the molecular formula C11H5Cl3FN and a molecular weight of 276.53 g/mol. Its IUPAC name is 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine.

Molecular Properties

Compound Name3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine
PubChem CID133091044
Molecular FormulaC11H5Cl3FN
Molecular Weight276.53 g/mol
Exact Mass274.95
IUPAC Name3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine
SMILESFc1nccc(-c2ccc(Cl)c(Cl)c2)c1Cl
InChIInChI=1S/C11H5Cl3FN/c12-8-2-1-6(5-9(8)13)7-3-4-16-11(15)10(7)14/h1-5H
InChIKeyFQGKAYLIUPFAKB-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.53
LogP ≤ 54.85
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

2-[2-(3,4-dichlorophenyl)phenyl]pyrimidine
CID 101434001
3-(3,4-dichlorophenyl)-2-fluoro-5-methoxypyridine
CID 133090437
5-(3,4-dichlorophenyl)-2-fluoropyrimidine
CID 130167089
2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 133088846
3-(3,4-dichlorophenyl)pyridine-2-carbonitrile
CID 133095092
1,2-dichloro-4-(3,5-difluorophenyl)benzene
CID 134623188
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
1,2-dichloro-4-[2-chloro-3-(chloromethyl)phenyl]benzene
CID 134619644
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
3-chloro-2-fluoro-4-[2-(trifluoromethoxy)phenyl]pyridine
CID 133088932
2-fluoro-4-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134637677
4-(2,3-dichlorophenyl)-2-fluoropyridin-3-ol
CID 118852451

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine?
The IUPAC name of 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine (CID 133091044) is 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine.
What is the SMILES notation for 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine?
The canonical SMILES for 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine is Fc1nccc(-c2ccc(Cl)c(Cl)c2)c1Cl.
What is the InChIKey of 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine?
The InChIKey is FQGKAYLIUPFAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FN/c12-8-2-1-6(5-9(8)13)7-3-4-16-11(15)10(7)14/h1-5H.
What are the key properties of 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine?
3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine has a molecular weight of 276.53 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine is sourced from PubChem (CID 133091044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).