2-(1-butan-2-yldibenzofuran-4-yl)pyridine

C21H19NO — CID 171576764

IUPAC2-(1-butan-2-yldibenzofuran-4-yl)pyridine
SMILESCCC(C)c1ccc(-c2ccccn2)c2oc3ccccc3c12
InChIInChI=1S/C21H19NO/c1-3-14(2)15-11-12-16(18-9-6-7-13-22-18)21-20(15)17-8-4-5-10-19(17)23-21/h4-14H,3H2,1-2H3
InChIKeyAACFVPKFHVSHLP-UHFFFAOYSA-N
MW301.39 g/mol
LogP6.16
Rot. Bonds3

About 2-(1-butan-2-yldibenzofuran-4-yl)pyridine

2-(1-butan-2-yldibenzofuran-4-yl)pyridine (PubChem CID 171576764) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(1-butan-2-yldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name2-(1-butan-2-yldibenzofuran-4-yl)pyridine
PubChem CID171576764
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-(1-butan-2-yldibenzofuran-4-yl)pyridine
SMILESCCC(C)c1ccc(-c2ccccn2)c2oc3ccccc3c12
InChIInChI=1S/C21H19NO/c1-3-14(2)15-11-12-16(18-9-6-7-13-22-18)21-20(15)17-8-4-5-10-19(17)23-21/h4-14H,3H2,1-2H3
InChIKeyAACFVPKFHVSHLP-UHFFFAOYSA-N
XLogP6.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(5-butan-2-yl-4-methyl-2-pyridinyl)dibenzofuran-1-yl]-trimethylsilane
CID 164797005
[4-(4-butan-2-yl-5-methyl-2-pyridinyl)dibenzofuran-1-yl]-trimethylsilane
CID 164796829
2-dibenzofuran-4-ylpyridine
CID 59500175
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
4-pyridin-2-ylxanthen-9-one
CID 167260109
5-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 156686733
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
2-(2-butan-2-yl-4-butylphenyl)pyridine;iridium;pentane
CID 143289444
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077900
4-methyl-2-(1-methyldibenzofuran-4-yl)pyridine
CID 171576824
tris(2-(1-ethyl-3H-dibenzofuran-3-id-4-yl)pyridine);iridium(3+)
CID 171576807

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-yldibenzofuran-4-yl)pyridine?
The IUPAC name of 2-(1-butan-2-yldibenzofuran-4-yl)pyridine (CID 171576764) is 2-(1-butan-2-yldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 2-(1-butan-2-yldibenzofuran-4-yl)pyridine?
The canonical SMILES for 2-(1-butan-2-yldibenzofuran-4-yl)pyridine is CCC(C)c1ccc(-c2ccccn2)c2oc3ccccc3c12.
What is the InChIKey of 2-(1-butan-2-yldibenzofuran-4-yl)pyridine?
The InChIKey is AACFVPKFHVSHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-3-14(2)15-11-12-16(18-9-6-7-13-22-18)21-20(15)17-8-4-5-10-19(17)23-21/h4-14H,3H2,1-2H3.
What are the key properties of 2-(1-butan-2-yldibenzofuran-4-yl)pyridine?
2-(1-butan-2-yldibenzofuran-4-yl)pyridine has a molecular weight of 301.39 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-yldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 171576764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).