3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine

C24H6Cl6F6N4O5 — CID 57011160

IUPAC3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1c(Cl)cc(Oc2cc(Cl)c([N+](=O)[O-])c(-c3ncc(C(F)(F)F)cc3Cl)c2Cl)c(Cl)c1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H6Cl6F6N4O5/c25-9-1-7(23(31,32)33)5-37-19(9)15-17(29)13(3-11(27)21(15)39(41)42)45-14-4-12(28)22(40(43)44)16(18(14)30)20-10(26)2-8(6-38-20)24(34,35)36/h1-6H
InChIKeyXFPOOBDOWFTZIQ-UHFFFAOYSA-N
MW757.04 g/mol
LogP11.38
Rot. Bonds6

About 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine

3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine (PubChem CID 57011160) has the molecular formula C24H6Cl6F6N4O5 and a molecular weight of 757.04 g/mol. Its IUPAC name is 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine
PubChem CID57011160
Molecular FormulaC24H6Cl6F6N4O5
Molecular Weight757.04 g/mol
Exact Mass753.84
IUPAC Name3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine
SMILESO=[N+]([O-])c1c(Cl)cc(Oc2cc(Cl)c([N+](=O)[O-])c(-c3ncc(C(F)(F)F)cc3Cl)c2Cl)c(Cl)c1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H6Cl6F6N4O5/c25-9-1-7(23(31,32)33)5-37-19(9)15-17(29)13(3-11(27)21(15)39(41)42)45-14-4-12(28)22(40(43)44)16(18(14)30)20-10(26)2-8(6-38-20)24(34,35)36/h1-6H
InChIKeyXFPOOBDOWFTZIQ-UHFFFAOYSA-N
XLogP11.38
TPSA121.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.04
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine (CID 57011160) is 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine is O=[N+]([O-])c1c(Cl)cc(Oc2cc(Cl)c([N+](=O)[O-])c(-c3ncc(C(F)(F)F)cc3Cl)c2Cl)c(Cl)c1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine?
The InChIKey is XFPOOBDOWFTZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H6Cl6F6N4O5/c25-9-1-7(23(31,32)33)5-37-19(9)15-17(29)13(3-11(27)21(15)39(41)42)45-14-4-12(28)22(40(43)44)16(18(14)30)20-10(26)2-8(6-38-20)24(34,35)36/h1-6H.
What are the key properties of 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine?
3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine has a molecular weight of 757.04 g/mol, XLogP of 11.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2,5-dichloro-3-[2,5-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-nitrophenoxy]-6-nitrophenyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 57011160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).