3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine

C19H10Cl4F3NO2 — CID 139750790

IUPAC3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2c(Cl)ccc3c(OCC=C(Cl)Cl)cccc23)c(Cl)c1
InChIInChI=1S/C19H10Cl4F3NO2/c20-13-5-4-11-12(2-1-3-15(11)28-7-6-16(22)23)17(13)29-18-14(21)8-10(9-27-18)19(24,25)26/h1-6,8-9H,7H2
InChIKeyQDLWCRGMWLPYLE-UHFFFAOYSA-N
MW483.10 g/mol
LogP8.05
Rot. Bonds5

About 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine

3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 139750790) has the molecular formula C19H10Cl4F3NO2 and a molecular weight of 483.10 g/mol. Its IUPAC name is 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID139750790
Molecular FormulaC19H10Cl4F3NO2
Molecular Weight483.10 g/mol
Exact Mass480.94
IUPAC Name3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(Oc2c(Cl)ccc3c(OCC=C(Cl)Cl)cccc23)c(Cl)c1
InChIInChI=1S/C19H10Cl4F3NO2/c20-13-5-4-11-12(2-1-3-15(11)28-7-6-16(22)23)17(13)29-18-14(21)8-10(9-27-18)19(24,25)26/h1-6,8-9H,7H2
InChIKeyQDLWCRGMWLPYLE-UHFFFAOYSA-N
XLogP8.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.10
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-chloro-5-(3,3-dichloroprop-2-enoxy)-1-[2-[4-(trifluoromethyl)phenyl]ethoxy]naphthalene
CID 139750750
3-chloro-2-[4-(3,3-dichloroprop-2-enoxy)-2,6-dimethylphenoxy]-5-(trifluoromethyl)pyridine
CID 21466401
2-[2-tert-butyl-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466411
2-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-3,5-bis(trifluoromethyl)pyridine
CID 21466246
2-[2-bromo-6-chloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
CID 21466475
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-6-(2-hydroxyethoxy)phenyl] prop-2-enoate;hydrate
CID 69110478
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine
CID 170890970
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592486
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
CID 1487270
2-(4-bromo-2,6-dichlorophenoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 169336505
1-(3,3-dichloroprop-2-enoxy)-5-[4-[4-(trifluoromethoxy)phenoxy]butoxy]naphthalene
CID 139750782

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine (CID 139750790) is 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(Oc2c(Cl)ccc3c(OCC=C(Cl)Cl)cccc23)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is QDLWCRGMWLPYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl4F3NO2/c20-13-5-4-11-12(2-1-3-15(11)28-7-6-16(22)23)17(13)29-18-14(21)8-10(9-27-18)19(24,25)26/h1-6,8-9H,7H2.
What are the key properties of 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine?
3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 483.10 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-chloro-5-(3,3-dichloroprop-2-enoxy)naphthalen-1-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 139750790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).