3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine

C22H25N — CID 141294405

IUPAC3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine
SMILESCc1cccc(C)c1-c1ncccc1C1=C(C(C)(C)C)C=CC1
InChIInChI=1S/C22H25N/c1-15-9-6-10-16(2)20(15)21-18(12-8-14-23-21)17-11-7-13-19(17)22(3,4)5/h6-10,12-14H,11H2,1-5H3
InChIKeyXHEZEAOQUHXDGT-UHFFFAOYSA-N
MW303.45 g/mol
LogP6.13
Rot. Bonds2

About 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine

3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine (PubChem CID 141294405) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine.

Molecular Properties

Compound Name3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine
PubChem CID141294405
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC Name3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine
SMILESCc1cccc(C)c1-c1ncccc1C1=C(C(C)(C)C)C=CC1
InChIInChI=1S/C22H25N/c1-15-9-6-10-16(2)20(15)21-18(12-8-14-23-21)17-11-7-13-19(17)22(3,4)5/h6-10,12-14H,11H2,1-5H3
InChIKeyXHEZEAOQUHXDGT-UHFFFAOYSA-N
XLogP6.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2,6-dimethylphenyl)-3-pyridinyl]-5,6,7,8-tetrahydroisoquinoline
CID 140781526
7-methyl-5,6-dihydrobenzo[h]quinoline
CID 126542796
9-methyl-N-phenylindeno[1,2-b]pyridin-5-imine
CID 606468
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015554
(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid
CID 82578871
3-[2-(2,6-ditert-butylphenyl)phenyl]-2-[3-[2-(2,6-ditert-butylphenyl)phenyl]-2-pyridinyl]pyridine
CID 71076216
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
CID 23015761
2-tert-butyl-3-(3-methyl-2-pyridinyl)benzoic acid
CID 66780485
5,5,9-trimethylindeno[1,2-b]pyridine
CID 58050073
5H-cyclopenta[b]pyridine
CID 575987
3-methyl-2-(3-methyl-14-thiatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)pyridine
CID 162485936
2-(2-ethenyl-6-methylphenyl)-3-methylpyridine
CID 68936277

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine?
The IUPAC name of 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine (CID 141294405) is 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine.
What is the SMILES notation for 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine?
The canonical SMILES for 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine is Cc1cccc(C)c1-c1ncccc1C1=C(C(C)(C)C)C=CC1.
What is the InChIKey of 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine?
The InChIKey is XHEZEAOQUHXDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-15-9-6-10-16(2)20(15)21-18(12-8-14-23-21)17-11-7-13-19(17)22(3,4)5/h6-10,12-14H,11H2,1-5H3.
What are the key properties of 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine?
3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine has a molecular weight of 303.45 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine is sourced from PubChem (CID 141294405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).