3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine

C11H3Cl3F3N — CID 133090436

IUPAC3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine
SMILESFc1nc(F)c(Cl)c(-c2cc(Cl)cc(Cl)c2)c1F
InChIInChI=1S/C11H3Cl3F3N/c12-5-1-4(2-6(13)3-5)7-8(14)10(16)18-11(17)9(7)15/h1-3H
InChIKeyFHKCYNOACQNGKK-UHFFFAOYSA-N
MW312.51 g/mol
LogP5.13
Rot. Bonds1

About 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine

3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine (PubChem CID 133090436) has the molecular formula C11H3Cl3F3N and a molecular weight of 312.51 g/mol. Its IUPAC name is 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine.

Molecular Properties

Compound Name3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine
PubChem CID133090436
Molecular FormulaC11H3Cl3F3N
Molecular Weight312.51 g/mol
Exact Mass310.93
IUPAC Name3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine
SMILESFc1nc(F)c(Cl)c(-c2cc(Cl)cc(Cl)c2)c1F
InChIInChI=1S/C11H3Cl3F3N/c12-5-1-4(2-6(13)3-5)7-8(14)10(16)18-11(17)9(7)15/h1-3H
InChIKeyFHKCYNOACQNGKK-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.51
LogP ≤ 55.13
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

2,3,5,6-tetrafluoro-4-(3,4,5-trichlorophenyl)pyridine
CID 134636739
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133090102
2,3,5,6-tetrafluoro-4-(4-fluorophenyl)pyridine
CID 46313129
1-(3,5-dichlorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 134623637
5-(3,5-dichlorophenyl)-2,3-difluoropyridine
CID 133090630
3-chloro-4-(3,5-dichlorophenyl)-5-fluoropyridine
CID 133090699
5-(3,5-dichlorophenyl)-2-fluoropyrimidine
CID 130167090
2-(3,5-dichlorophenyl)-6-fluoropyridine
CID 118808261
3-chloro-4-[4,5-dibromo-2-[(3-chloro-2,5,6-trifluoro-4-pyridinyl)oxy]phenoxy]-2,5,6-trifluoropyridine
CID 11836225
3,5-dichloro-2,6-difluoro-4-methylpyridine
CID 54345490
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
sulfane;1,3,5-trichlorobenzene
CID 174951805

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine?
The IUPAC name of 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine (CID 133090436) is 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine.
What is the SMILES notation for 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine?
The canonical SMILES for 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine is Fc1nc(F)c(Cl)c(-c2cc(Cl)cc(Cl)c2)c1F.
What is the InChIKey of 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine?
The InChIKey is FHKCYNOACQNGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl3F3N/c12-5-1-4(2-6(13)3-5)7-8(14)10(16)18-11(17)9(7)15/h1-3H.
What are the key properties of 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine?
3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine has a molecular weight of 312.51 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3,5-dichlorophenyl)-2,5,6-trifluoropyridine is sourced from PubChem (CID 133090436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).