2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine

C16H15N — CID 102441252

IUPAC2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine
SMILESCc1cc(C2=CC=CC2)cc(C2=CC=CC2)n1
InChIInChI=1S/C16H15N/c1-12-10-15(13-6-2-3-7-13)11-16(17-12)14-8-4-5-9-14/h2-6,8,10-11H,7,9H2,1H3
InChIKeyQREGAUPOAWKHDL-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.08
Rot. Bonds2

About 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine

2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine (PubChem CID 102441252) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine.

Molecular Properties

Compound Name2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine
PubChem CID102441252
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine
SMILESCc1cc(C2=CC=CC2)cc(C2=CC=CC2)n1
InChIInChI=1S/C16H15N/c1-12-10-15(13-6-2-3-7-13)11-16(17-12)14-8-4-5-9-14/h2-6,8,10-11H,7,9H2,1H3
InChIKeyQREGAUPOAWKHDL-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine?
The IUPAC name of 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine (CID 102441252) is 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine.
What is the SMILES notation for 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine?
The canonical SMILES for 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine is Cc1cc(C2=CC=CC2)cc(C2=CC=CC2)n1.
What is the InChIKey of 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine?
The InChIKey is QREGAUPOAWKHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-10-15(13-6-2-3-7-13)11-16(17-12)14-8-4-5-9-14/h2-6,8,10-11H,7,9H2,1H3.
What are the key properties of 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine?
2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine has a molecular weight of 221.30 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine is sourced from PubChem (CID 102441252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).