3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol

C15H13Cl2F3N2O3 — CID 168597154

IUPAC3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol
SMILESOCC(O)CNc1cc(Cl)c(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C15H13Cl2F3N2O3/c16-11-3-9(21-6-10(24)7-23)4-12(17)14(11)25-13-2-1-8(5-22-13)15(18,19)20/h1-5,10,21,23-24H,6-7H2
InChIKeyHUGWPEKZLKVSRG-UHFFFAOYSA-N
MW397.18 g/mol
LogP3.96
Rot. Bonds6

About 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol

3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol (PubChem CID 168597154) has the molecular formula C15H13Cl2F3N2O3 and a molecular weight of 397.18 g/mol. Its IUPAC name is 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol
PubChem CID168597154
Molecular FormulaC15H13Cl2F3N2O3
Molecular Weight397.18 g/mol
Exact Mass396.03
IUPAC Name3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol
SMILESOCC(O)CNc1cc(Cl)c(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C15H13Cl2F3N2O3/c16-11-3-9(21-6-10(24)7-23)4-12(17)14(11)25-13-2-1-8(5-22-13)15(18,19)20/h1-5,10,21,23-24H,6-7H2
InChIKeyHUGWPEKZLKVSRG-UHFFFAOYSA-N
XLogP3.96
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol
CID 168639107
N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370854
3-[4-[2-(dimethylamino)-5-(trifluoromethyl)-3-pyridinyl]anilino]propane-1,2-diol
CID 168596058
3-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoate
CID 7084639
(2S)-3-[3-bromo-5-(trifluoromethyl)anilino]propane-1,2-diol
CID 65490427
3-(3-bromo-5-chloro-4-methoxyanilino)propane-1,2-diol
CID 168597233
3,5-dichloro-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexoxy]phenol
CID 18504619
5-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carbaldehyde
CID 169333045
(1R)-1-[6-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-pyridinyl]ethane-1,2-diol
CID 56943336
3-[3-[2,6-difluoro-4-(trifluoromethyl)phenoxy]anilino]propane-1,2-diol
CID 168594583
2-chloro-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrazine
CID 169204884
(2S)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 52756844

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol?
The IUPAC name of 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol (CID 168597154) is 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol.
What is the SMILES notation for 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol?
The canonical SMILES for 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol is OCC(O)CNc1cc(Cl)c(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1.
What is the InChIKey of 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol?
The InChIKey is HUGWPEKZLKVSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N2O3/c16-11-3-9(21-6-10(24)7-23)4-12(17)14(11)25-13-2-1-8(5-22-13)15(18,19)20/h1-5,10,21,23-24H,6-7H2.
What are the key properties of 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol?
3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol has a molecular weight of 397.18 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol is sourced from PubChem (CID 168597154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).