4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine

C22H20FNO — CID 170777206

IUPAC4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
SMILESCC(C)(C)Cc1ccnc(-c2cccc3c2oc2cc(F)ccc23)c1
InChIInChI=1S/C22H20FNO/c1-22(2,3)13-14-9-10-24-19(11-14)18-6-4-5-17-16-8-7-15(23)12-20(16)25-21(17)18/h4-12H,13H2,1-3H3
InChIKeyBPBHKNHFQZETLZ-UHFFFAOYSA-N
MW333.41 g/mol
LogP6.38
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine

4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine (PubChem CID 170777206) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
PubChem CID170777206
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine
SMILESCC(C)(C)Cc1ccnc(-c2cccc3c2oc2cc(F)ccc23)c1
InChIInChI=1S/C22H20FNO/c1-22(2,3)13-14-9-10-24-19(11-14)18-6-4-5-17-16-8-7-15(23)12-20(16)25-21(17)18/h4-12H,13H2,1-3H3
InChIKeyBPBHKNHFQZETLZ-UHFFFAOYSA-N
XLogP6.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-([1]benzothiolo[5,6-b][1]benzofuran-8-yl)-4-(2,2-dimethylpropyl)pyridine
CID 168829416
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[2,3-f]quinoline
CID 172522572
6-[4-(2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-4-carbonitrile
CID 170251829
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-[1]benzofuro[3,2-h]isoquinoline
CID 172522614
2-([1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4-(2,2-dimethylpropyl)pyridine
CID 168829607
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
1-(7-fluorodibenzofuran-4-yl)isoquinoline
CID 164797559
2-dibenzofuran-4-yl-4-octylpyridine
CID 171576908
2-(7-benzyldibenzofuran-4-yl)-4-tert-butylpyridine
CID 162709213
3-[6-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]dibenzofuran-3-yl]benzonitrile
CID 170546352
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[6,5-b][1]benzofuran-8-yl)pyridine
CID 168829154
10-[4-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-h]quinoline
CID 172522712

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine (CID 170777206) is 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine is CC(C)(C)Cc1ccnc(-c2cccc3c2oc2cc(F)ccc23)c1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine?
The InChIKey is BPBHKNHFQZETLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-22(2,3)13-14-9-10-24-19(11-14)18-6-4-5-17-16-8-7-15(23)12-20(16)25-21(17)18/h4-12H,13H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine?
4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine has a molecular weight of 333.41 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-(7-fluorodibenzofuran-4-yl)pyridine is sourced from PubChem (CID 170777206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).