5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine

C35H25ClFN3O2 — CID 141034041

IUPAC5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine
SMILESFc1ccc(-c2ccc(OCc3ccncc3)cc2)c(-c2ccc(OCc3cccnc3)cc2)c1-c1ccc(Cl)cn1
InChIInChI=1S/C35H25ClFN3O2/c36-28-7-14-33(40-21-28)35-32(37)13-12-31(26-3-8-29(9-4-26)41-22-24-15-18-38-19-16-24)34(35)27-5-10-30(11-6-27)42-23-25-2-1-17-39-20-25/h1-21H,22-23H2
InChIKeyGBUNSEYGXZOLIF-UHFFFAOYSA-N
MW574.06 g/mol
LogP8.82
Rot. Bonds9

About 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine

5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine (PubChem CID 141034041) has the molecular formula C35H25ClFN3O2 and a molecular weight of 574.06 g/mol. Its IUPAC name is 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine
PubChem CID141034041
Molecular FormulaC35H25ClFN3O2
Molecular Weight574.06 g/mol
Exact Mass573.16
IUPAC Name5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine
SMILESFc1ccc(-c2ccc(OCc3ccncc3)cc2)c(-c2ccc(OCc3cccnc3)cc2)c1-c1ccc(Cl)cn1
InChIInChI=1S/C35H25ClFN3O2/c36-28-7-14-33(40-21-28)35-32(37)13-12-31(26-3-8-29(9-4-26)41-22-24-15-18-38-19-16-24)34(35)27-5-10-30(11-6-27)42-23-25-2-1-17-39-20-25/h1-21H,22-23H2
InChIKeyGBUNSEYGXZOLIF-UHFFFAOYSA-N
XLogP8.82
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.06
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine with MolForge

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Related Compounds

1-(5-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402298
9-[(6-Chloro-3-pyridinyl)methoxy]-13-ethyl-2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium iodide
CID 44571411
4-(6-Fluoro-3-pyridinyl)-2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)pyridine
CID 102169168
5-((5-Chloropyridin-3-yl)methoxy)-4-(4-fluorophenyl)picolinonitrile
CID 122539648
5-((6-Chloropyridin-3-yl)methoxy)-4-(4-fluorophenyl)picolinonitrile
CID 122539755
N-[[4-[3-chloro-4-[2-fluoro-3-[6-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]oxan-4-amine
CID 170697279
N-[[4-[3-chloro-4-[3-[6-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]oxan-4-amine
CID 170697831
4-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecoxy)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132597360
2-[4-Fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
CID 134833888
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2-(2,3,4,5,6-Pentafluorophenyl)-3-(4-phenylmethoxyphenyl)-6-pyridin-2-ylpyridine
CID 162398337

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine?
The IUPAC name of 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine (CID 141034041) is 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine.
What is the SMILES notation for 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine?
The canonical SMILES for 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine is Fc1ccc(-c2ccc(OCc3ccncc3)cc2)c(-c2ccc(OCc3cccnc3)cc2)c1-c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine?
The InChIKey is GBUNSEYGXZOLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25ClFN3O2/c36-28-7-14-33(40-21-28)35-32(37)13-12-31(26-3-8-29(9-4-26)41-22-24-15-18-38-19-16-24)34(35)27-5-10-30(11-6-27)42-23-25-2-1-17-39-20-25/h1-21H,22-23H2.
What are the key properties of 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine?
5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine has a molecular weight of 574.06 g/mol, XLogP of 8.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine is sourced from PubChem (CID 141034041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).