3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine

C18H12ClF3N2O2 — CID 135235726

IUPAC3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine
SMILESCOc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF3N2O2/c1-25-16-14(9-23-10-15(16)19)13-3-2-8-24-17(13)26-12-6-4-11(5-7-12)18(20,21)22/h2-10H,1H3
InChIKeySYIBJGVSXMLRTF-UHFFFAOYSA-N
MW380.75 g/mol
LogP5.62
Rot. Bonds4

About 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine

3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine (PubChem CID 135235726) has the molecular formula C18H12ClF3N2O2 and a molecular weight of 380.75 g/mol. Its IUPAC name is 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine
PubChem CID135235726
Molecular FormulaC18H12ClF3N2O2
Molecular Weight380.75 g/mol
Exact Mass380.05
IUPAC Name3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine
SMILESCOc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H12ClF3N2O2/c1-25-16-14(9-23-10-15(16)19)13-3-2-8-24-17(13)26-12-6-4-11(5-7-12)18(20,21)22/h2-10H,1H3
InChIKeySYIBJGVSXMLRTF-UHFFFAOYSA-N
XLogP5.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
2-[1-(3-Chlorophenyl)-2,2,2-trifluoroethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263339
Methyl 2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetate
CID 3652861
2-(2-Chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44134038
Methyl-phenyl-carbamic acid 4-(3-chloro-5-trifluoromethylpyridin-2-yloxy)-phenyl
CID 10287897
Rac-3-((2-chlorophenoxy)(piperidin-4-yl)methyl)pyridine
CID 45273132
2-(2-Chloro-5-fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 46230756
(4S,6S)-4-[5-(3-chloropyridin-2-yl)oxy-2-fluorophenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 90373030
2-(2-Chlorophenoxy)-5-(trifluoromethyl)pyridine
CID 894634
2-(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)acetonitrile
CID 2773895
2-Chloro-3-[3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxypyridine
CID 49790051
2-(3-Pyridin-2-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 155545788

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine?
The IUPAC name of 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine (CID 135235726) is 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine.
What is the SMILES notation for 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine?
The canonical SMILES for 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine is COc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine?
The InChIKey is SYIBJGVSXMLRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O2/c1-25-16-14(9-23-10-15(16)19)13-3-2-8-24-17(13)26-12-6-4-11(5-7-12)18(20,21)22/h2-10H,1H3.
What are the key properties of 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine?
3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine has a molecular weight of 380.75 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyridine is sourced from PubChem (CID 135235726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).