2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine

C24H10Cl3F7N2O2 — CID 173353381

IUPAC2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Oc1c(Cl)cccc1-c1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C24H10Cl3F7N2O2/c25-13-8-18(28)22(36-10-13)38-20-14(2-1-3-17(20)27)11-4-5-16(26)19(6-11)37-21-15(24(32,33)34)7-12(9-35-21)23(29,30)31/h1-10H
InChIKeyLPOQWRGDRNTRCY-UHFFFAOYSA-N
MW597.70 g/mol
LogP9.87
Rot. Bonds5

About 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine

2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine (PubChem CID 173353381) has the molecular formula C24H10Cl3F7N2O2 and a molecular weight of 597.70 g/mol. Its IUPAC name is 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine
PubChem CID173353381
Molecular FormulaC24H10Cl3F7N2O2
Molecular Weight597.70 g/mol
Exact Mass595.97
IUPAC Name2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Oc1c(Cl)cccc1-c1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C24H10Cl3F7N2O2/c25-13-8-18(28)22(36-10-13)38-20-14(2-1-3-17(20)27)11-4-5-16(26)19(6-11)37-21-15(24(32,33)34)7-12(9-35-21)23(29,30)31/h1-10H
InChIKeyLPOQWRGDRNTRCY-UHFFFAOYSA-N
XLogP9.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.70
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-fluoro-2-[2-[4-(trifluoromethyl)thiophen-2-yl]phenoxy]pyridine
CID 150360287
5-chloro-3-fluoro-2-(2-phenylphenoxy)pyridine
CID 79713542
2-(2-tert-butylphenoxy)-5-chloro-3-fluoropyridine
CID 79728002
5-chloro-3-fluoro-2-[3-methoxy-2-[4-(trifluoromethyl)-1H-pyrazol-5-yl]phenoxy]pyridine
CID 166728803
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]isoindole-1,3-dione
CID 168516283
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727810
5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine
CID 79727918
2-(2-tert-butyl-4-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727805
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
CID 21466246
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]aniline
CID 79727242

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine?
The IUPAC name of 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine (CID 173353381) is 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine.
What is the SMILES notation for 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine?
The canonical SMILES for 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine is Fc1cc(Cl)cnc1Oc1c(Cl)cccc1-c1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2C(F)(F)F)c1.
What is the InChIKey of 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine?
The InChIKey is LPOQWRGDRNTRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10Cl3F7N2O2/c25-13-8-18(28)22(36-10-13)38-20-14(2-1-3-17(20)27)11-4-5-16(26)19(6-11)37-21-15(24(32,33)34)7-12(9-35-21)23(29,30)31/h1-10H.
What are the key properties of 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine?
2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine has a molecular weight of 597.70 g/mol, XLogP of 9.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[[3,5-bis(trifluoromethyl)-2-pyridinyl]oxy]-4-chlorophenyl]-6-chlorophenoxy]-5-chloro-3-fluoropyridine is sourced from PubChem (CID 173353381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).