4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline

C24H10Cl6F6N4O — CID 56633200

IUPAC4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline
SMILESNc1cc(Cl)c(Oc2c(Cl)cc(N)c(-c3ncc(C(F)(F)F)cc3Cl)c2Cl)c(Cl)c1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H10Cl6F6N4O/c25-9-1-7(23(31,32)33)5-39-19(9)15-13(37)3-11(27)21(17(15)29)41-22-12(28)4-14(38)16(18(22)30)20-10(26)2-8(6-40-20)24(34,35)36/h1-6H,37-38H2
InChIKeyLRJHYXGXAZVQCT-UHFFFAOYSA-N
MW697.08 g/mol
LogP10.73
Rot. Bonds4

About 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline

4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline (PubChem CID 56633200) has the molecular formula C24H10Cl6F6N4O and a molecular weight of 697.08 g/mol. Its IUPAC name is 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline.

Molecular Properties

Compound Name4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline
PubChem CID56633200
Molecular FormulaC24H10Cl6F6N4O
Molecular Weight697.08 g/mol
Exact Mass693.89
IUPAC Name4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline
SMILESNc1cc(Cl)c(Oc2c(Cl)cc(N)c(-c3ncc(C(F)(F)F)cc3Cl)c2Cl)c(Cl)c1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H10Cl6F6N4O/c25-9-1-7(23(31,32)33)5-39-19(9)15-13(37)3-11(27)21(17(15)29)41-22-12(28)4-14(38)16(18(22)30)20-10(26)2-8(6-40-20)24(34,35)36/h1-6H,37-38H2
InChIKeyLRJHYXGXAZVQCT-UHFFFAOYSA-N
XLogP10.73
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.08
LogP ≤ 510.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline?
The IUPAC name of 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline (CID 56633200) is 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline.
What is the SMILES notation for 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline?
The canonical SMILES for 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline is Nc1cc(Cl)c(Oc2c(Cl)cc(N)c(-c3ncc(C(F)(F)F)cc3Cl)c2Cl)c(Cl)c1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline?
The InChIKey is LRJHYXGXAZVQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10Cl6F6N4O/c25-9-1-7(23(31,32)33)5-39-19(9)15-13(37)3-11(27)21(17(15)29)41-22-12(28)4-14(38)16(18(22)30)20-10(26)2-8(6-40-20)24(34,35)36/h1-6H,37-38H2.
What are the key properties of 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline?
4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline has a molecular weight of 697.08 g/mol, XLogP of 10.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2,6-dichloro-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenoxy]-3,5-dichloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]aniline is sourced from PubChem (CID 56633200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).