3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine

C18HCl10F4N — CID 133089927

IUPAC3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(C(F)(F)F)nc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18HCl10F4N/c19-6-4(7(20)11(24)14(27)10(6)23)2-1-3(18(30,31)32)33-17(16(2)29)5-8(21)12(25)15(28)13(26)9(5)22/h1H
InChIKeyIVTJKWRNRJAAAL-UHFFFAOYSA-N
MW661.73 g/mol
LogP12.11
Rot. Bonds2

About 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine

3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine (PubChem CID 133089927) has the molecular formula C18HCl10F4N and a molecular weight of 661.73 g/mol. Its IUPAC name is 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
PubChem CID133089927
Molecular FormulaC18HCl10F4N
Molecular Weight661.73 g/mol
Exact Mass656.69
IUPAC Name3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(C(F)(F)F)nc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18HCl10F4N/c19-6-4(7(20)11(24)14(27)10(6)23)2-1-3(18(30,31)32)33-17(16(2)29)5-8(21)12(25)15(28)13(26)9(5)22/h1H
InChIKeyIVTJKWRNRJAAAL-UHFFFAOYSA-N
XLogP12.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.73
LogP ≤ 512.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-tris(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134630482
2,4-difluoro-3-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 118993970
2,4-bis(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 134624047
2,4-bis(2,3,6-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-ol
CID 133092515
3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133089949
2,4-bis(2,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridin-3-amine
CID 133086465
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134637270
2-(2,4-dichlorophenyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 118836217
3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636331
2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468690
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134620759

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine (CID 133089927) is 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine is Fc1c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(C(F)(F)F)nc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is IVTJKWRNRJAAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18HCl10F4N/c19-6-4(7(20)11(24)14(27)10(6)23)2-1-3(18(30,31)32)33-17(16(2)29)5-8(21)12(25)15(28)13(26)9(5)22/h1H.
What are the key properties of 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine?
3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine has a molecular weight of 661.73 g/mol, XLogP of 12.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4-bis(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 133089927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).