2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine

C27H24N2O — CID 140716800

IUPAC2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine
SMILESc1ccc(-c2cccc(Oc3cccc(C4(c5ccccn5)CCCC4)c3)c2)nc1
InChIInChI=1S/C27H24N2O/c1-5-17-28-25(13-1)21-9-7-11-23(19-21)30-24-12-8-10-22(20-24)27(15-3-4-16-27)26-14-2-6-18-29-26/h1-2,5-14,17-20H,3-4,15-16H2
InChIKeyCPVGAARSNKIWJA-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.80
Rot. Bonds5

About 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine

2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine (PubChem CID 140716800) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine
PubChem CID140716800
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine
SMILESc1ccc(-c2cccc(Oc3cccc(C4(c5ccccn5)CCCC4)c3)c2)nc1
InChIInChI=1S/C27H24N2O/c1-5-17-28-25(13-1)21-9-7-11-23(19-21)30-24-12-8-10-22(20-24)27(15-3-4-16-27)26-14-2-6-18-29-26/h1-2,5-14,17-20H,3-4,15-16H2
InChIKeyCPVGAARSNKIWJA-UHFFFAOYSA-N
XLogP6.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
2-(3-pyridin-3-yloxyphenyl)pyridine
CID 123250920
(3-pyridin-2-ylphenyl) hypoiodite
CID 143814721
2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 140715562
2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
2-[3-(1-methylcyclopropyl)phenyl]pyridine
CID 59346149
2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 163572145
2-[3-(2-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562312
N,N-dimethyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine
CID 158983863
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine?
The IUPAC name of 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine (CID 140716800) is 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine.
What is the SMILES notation for 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine?
The canonical SMILES for 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine is c1ccc(-c2cccc(Oc3cccc(C4(c5ccccn5)CCCC4)c3)c2)nc1.
What is the InChIKey of 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine?
The InChIKey is CPVGAARSNKIWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-5-17-28-25(13-1)21-9-7-11-23(19-21)30-24-12-8-10-22(20-24)27(15-3-4-16-27)26-14-2-6-18-29-26/h1-2,5-14,17-20H,3-4,15-16H2.
What are the key properties of 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine?
2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine has a molecular weight of 392.50 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine is sourced from PubChem (CID 140716800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).