4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine

C14H13N — CID 154662083

IUPAC4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine
SMILESCc1c(-c2ccncc2)ccc2c1CC2
InChIInChI=1S/C14H13N/c1-10-13-4-2-11(13)3-5-14(10)12-6-8-15-9-7-12/h3,5-9H,2,4H2,1H3
InChIKeyXTFQCSHBPMCBAU-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.16
Rot. Bonds1

About 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine

4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine (PubChem CID 154662083) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine.

Molecular Properties

Compound Name4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine
PubChem CID154662083
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine
SMILESCc1c(-c2ccncc2)ccc2c1CC2
InChIInChI=1S/C14H13N/c1-10-13-4-2-11(13)3-5-14(10)12-6-8-15-9-7-12/h3,5-9H,2,4H2,1H3
InChIKeyXTFQCSHBPMCBAU-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine?
The IUPAC name of 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine (CID 154662083) is 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine.
What is the SMILES notation for 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine?
The canonical SMILES for 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine is Cc1c(-c2ccncc2)ccc2c1CC2.
What is the InChIKey of 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine?
The InChIKey is XTFQCSHBPMCBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-10-13-4-2-11(13)3-5-14(10)12-6-8-15-9-7-12/h3,5-9H,2,4H2,1H3.
What are the key properties of 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine?
4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine has a molecular weight of 195.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pyridine is sourced from PubChem (CID 154662083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).