4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine

C26H32N2O2 — CID 102199068

IUPAC4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine
SMILESCC[C@H](C)COc1cc(-c2ccncc2)c(OC[C@@H](C)CC)cc1-c1ccncc1
InChIInChI=1S/C26H32N2O2/c1-5-19(3)17-29-25-15-24(22-9-13-28-14-10-22)26(30-18-20(4)6-2)16-23(25)21-7-11-27-12-8-21/h7-16,19-20H,5-6,17-18H2,1-4H3/t19-,20-/m0/s1
InChIKeySVYDQKGCRZTRGR-PMACEKPBSA-N
MW404.55 g/mol
LogP6.66
Rot. Bonds10

About 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine

4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine (PubChem CID 102199068) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine.

Molecular Properties

Compound Name4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine
PubChem CID102199068
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine
SMILESCC[C@H](C)COc1cc(-c2ccncc2)c(OC[C@@H](C)CC)cc1-c1ccncc1
InChIInChI=1S/C26H32N2O2/c1-5-19(3)17-29-25-15-24(22-9-13-28-14-10-22)26(30-18-20(4)6-2)16-23(25)21-7-11-27-12-8-21/h7-16,19-20H,5-6,17-18H2,1-4H3/t19-,20-/m0/s1
InChIKeySVYDQKGCRZTRGR-PMACEKPBSA-N
XLogP6.66
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-methylbutoxy]-2-phenylbenzene
CID 57221058
2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol
CID 139983730
methyl 4-(2-methylbutoxy)pyridine-3-carboxylate
CID 132587596
ethanol;4-(2,4,5-tripyridin-4-ylphenyl)pyridine
CID 139144971
[5-methyl-2-(2-methylbutoxy)phenyl]methanol
CID 63325195
4-chloro-5-[(2S)-2,4-dimethylpentoxy]-2-pyridin-4-ylpyridine
CID 150370518
2',7'-dimethyl-2,3,6,7-tetrakis(2-methylbutoxy)-9,9'-spirobi[fluorene]
CID 58544758
4-bromo-1-methyl-2-(2-methylbutoxy)benzene
CID 107283947
4-(2-ethoxyphenyl)pyridine
CID 23466193
3-(2-methylbutoxy)quinolin-2-amine
CID 118174550
2-[4-hexoxy-3-(2-methylbutoxy)phenyl]pyrazine
CID 57252907
6-[2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid
CID 139983727

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine?
The IUPAC name of 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine (CID 102199068) is 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine.
What is the SMILES notation for 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine?
The canonical SMILES for 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine is CC[C@H](C)COc1cc(-c2ccncc2)c(OC[C@@H](C)CC)cc1-c1ccncc1.
What is the InChIKey of 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine?
The InChIKey is SVYDQKGCRZTRGR-PMACEKPBSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-5-19(3)17-29-25-15-24(22-9-13-28-14-10-22)26(30-18-20(4)6-2)16-23(25)21-7-11-27-12-8-21/h7-16,19-20H,5-6,17-18H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine?
4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine has a molecular weight of 404.55 g/mol, XLogP of 6.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis[(2S)-2-methylbutoxy]-4-pyridin-4-ylphenyl]pyridine is sourced from PubChem (CID 102199068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).