2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine

C28H20N2O5 — CID 54314681

IUPAC2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine
SMILESC(#COc1cccc(Oc2ccccn2)c1)COCC#COc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C28H20N2O5/c1-3-15-29-27(13-1)34-25-11-5-9-23(21-25)32-19-7-17-31-18-8-20-33-24-10-6-12-26(22-24)35-28-14-2-4-16-30-28/h1-6,9-16,21-22H,17-18H2
InChIKeySNIKYWASKMIRTP-UHFFFAOYSA-N
MW464.48 g/mol
LogP5.46
Rot. Bonds8

About 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine

2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine (PubChem CID 54314681) has the molecular formula C28H20N2O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine.

Molecular Properties

Compound Name2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine
PubChem CID54314681
Molecular FormulaC28H20N2O5
Molecular Weight464.48 g/mol
Exact Mass464.14
IUPAC Name2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine
SMILESC(#COc1cccc(Oc2ccccn2)c1)COCC#COc1cccc(Oc2ccccn2)c1
InChIInChI=1S/C28H20N2O5/c1-3-15-29-27(13-1)34-25-11-5-9-23(21-25)32-19-7-17-31-18-8-20-33-24-10-6-12-26(22-24)35-28-14-2-4-16-30-28/h1-6,9-16,21-22H,17-18H2
InChIKeySNIKYWASKMIRTP-UHFFFAOYSA-N
XLogP5.46
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
2-[3-(methoxymethyl)phenoxy]pyridine
CID 174239052
ethane;2-phenoxypyridine
CID 90835857
ethanone;palladium;palladium(2+);2-[3-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine;2-[3-(3-pyridin-2-yloxyphenoxy)phenoxy]pyridine
CID 159087570
3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]isoquinoline
CID 159467919
2-methyl-6-[3-[(6-methyl-2-pyridinyl)oxy]-5-pyridin-2-yloxyphenoxy]pyridine
CID 146608885
N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline
CID 75518345
2-methyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120054
3-pyridin-2-yloxybenzenesulfonyl chloride
CID 166604318
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
(3-pyridin-2-yloxyphenyl)methylidenehydrazine
CID 168530003
N-(3-pyridin-2-yloxyphenyl)formamide
CID 91518983

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine?
The IUPAC name of 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine (CID 54314681) is 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine.
What is the SMILES notation for 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine?
The canonical SMILES for 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine is C(#COc1cccc(Oc2ccccn2)c1)COCC#COc1cccc(Oc2ccccn2)c1.
What is the InChIKey of 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine?
The InChIKey is SNIKYWASKMIRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O5/c1-3-15-29-27(13-1)34-25-11-5-9-23(21-25)32-19-7-17-31-18-8-20-33-24-10-6-12-26(22-24)35-28-14-2-4-16-30-28/h1-6,9-16,21-22H,17-18H2.
What are the key properties of 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine?
2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine has a molecular weight of 464.48 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-(3-pyridin-2-yloxyphenoxy)prop-2-ynoxy]prop-1-ynoxy]phenoxy]pyridine is sourced from PubChem (CID 54314681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).