1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol

C15H12Cl3F3N2O2 — CID 168639107

IUPAC1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3F3N2O2/c16-5-10(24)7-22-9-1-2-13(11(17)4-9)25-14-12(18)3-8(6-23-14)15(19,20)21/h1-4,6,10,22,24H,5,7H2
InChIKeyNFKVKEBJTPSMPL-UHFFFAOYSA-N
MW415.63 g/mol
LogP5.21
Rot. Bonds6

About 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol

1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol (PubChem CID 168639107) has the molecular formula C15H12Cl3F3N2O2 and a molecular weight of 415.63 g/mol. Its IUPAC name is 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol
PubChem CID168639107
Molecular FormulaC15H12Cl3F3N2O2
Molecular Weight415.63 g/mol
Exact Mass413.99
IUPAC Name1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol
SMILESOC(CCl)CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3F3N2O2/c16-5-10(24)7-22-9-1-2-13(11(17)4-9)25-14-12(18)3-8(6-23-14)15(19,20)21/h1-4,6,10,22,24H,5,7H2
InChIKeyNFKVKEBJTPSMPL-UHFFFAOYSA-N
XLogP5.21
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.63
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol with MolForge

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Related Compounds

2-[[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]hydrazinylidene]propanedinitrile
CID 169340160
1-chloro-3-[3-chloro-4-(2,4-dimethylphenoxy)anilino]propan-2-ol
CID 168639426
3-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propane-1,2-diol
CID 168597154
1-chloro-3-[2,6-dichloro-4-(trifluoromethyl)anilino]propan-2-ol
CID 168640694
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-difluoroaniline
CID 76851699
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404
3-chloro-2-[2-chloro-4-(furan-2-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 168527041
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
3-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoate
CID 7084639

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol?
The IUPAC name of 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol (CID 168639107) is 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol is OC(CCl)CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol?
The InChIKey is NFKVKEBJTPSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3F3N2O2/c16-5-10(24)7-22-9-1-2-13(11(17)4-9)25-14-12(18)3-8(6-23-14)15(19,20)21/h1-4,6,10,22,24H,5,7H2.
What are the key properties of 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol?
1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol has a molecular weight of 415.63 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-chloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propan-2-ol is sourced from PubChem (CID 168639107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).