3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine

C18H13ClF2N2O2 — CID 126714406

IUPAC3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine
SMILESCOc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(F)F)cc1
InChIInChI=1S/C18H13ClF2N2O2/c1-24-16-14(9-22-10-15(16)19)13-3-2-8-23-18(13)25-12-6-4-11(5-7-12)17(20)21/h2-10,17H,1H3
InChIKeyPIHBKWUTAKQADW-UHFFFAOYSA-N
MW362.76 g/mol
LogP5.54
Rot. Bonds5

About 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine

3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine (PubChem CID 126714406) has the molecular formula C18H13ClF2N2O2 and a molecular weight of 362.76 g/mol. Its IUPAC name is 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine.

Molecular Properties

Compound Name3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine
PubChem CID126714406
Molecular FormulaC18H13ClF2N2O2
Molecular Weight362.76 g/mol
Exact Mass362.06
IUPAC Name3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine
SMILESCOc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(F)F)cc1
InChIInChI=1S/C18H13ClF2N2O2/c1-24-16-14(9-22-10-15(16)19)13-3-2-8-23-18(13)25-12-6-4-11(5-7-12)17(20)21/h2-10,17H,1H3
InChIKeyPIHBKWUTAKQADW-UHFFFAOYSA-N
XLogP5.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.76
LogP ≤ 55.54
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-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine?
The IUPAC name of 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine (CID 126714406) is 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine.
What is the SMILES notation for 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine?
The canonical SMILES for 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine is COc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(F)F)cc1.
What is the InChIKey of 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine?
The InChIKey is PIHBKWUTAKQADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O2/c1-24-16-14(9-22-10-15(16)19)13-3-2-8-23-18(13)25-12-6-4-11(5-7-12)17(20)21/h2-10,17H,1H3.
What are the key properties of 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine?
3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine has a molecular weight of 362.76 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine is sourced from PubChem (CID 126714406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).