3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine

C13H13N — CID 142207417

IUPAC3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine
SMILESCC1=CC=C(c2cccnc2)C=CC1
InChIInChI=1S/C13H13N/c1-11-4-2-5-12(8-7-11)13-6-3-9-14-10-13/h2-3,5-10H,4H2,1H3
InChIKeyFDONHURLSZGBKH-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.37
Rot. Bonds1

About 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine

3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine (PubChem CID 142207417) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine.

Molecular Properties

Compound Name3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine
PubChem CID142207417
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine
SMILESCC1=CC=C(c2cccnc2)C=CC1
InChIInChI=1S/C13H13N/c1-11-4-2-5-12(8-7-11)13-6-3-9-14-10-13/h2-3,5-10H,4H2,1H3
InChIKeyFDONHURLSZGBKH-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)ethynyl]pyridine
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cyclopenta[c]azepine
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3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
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3-azulen-6-ylpyridine
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3-(2-methylphenyl)pyridine
CID 4133191
3-[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]-5-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]phenyl]pyridine
CID 144738838
7-pyridin-3-yl-2H-azepine
CID 174357758
3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine
CID 138565141
3-(2,3-dimethylimidazol-4-yl)pyridine
CID 44549702
ethane;3-(5-methylthiophen-3-yl)pyridine
CID 143670702
3-pyridin-3-yl-1,6-dihydropyridazine
CID 142411024

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine?
The IUPAC name of 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine (CID 142207417) is 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine.
What is the SMILES notation for 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine?
The canonical SMILES for 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine is CC1=CC=C(c2cccnc2)C=CC1.
What is the InChIKey of 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine?
The InChIKey is FDONHURLSZGBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-11-4-2-5-12(8-7-11)13-6-3-9-14-10-13/h2-3,5-10H,4H2,1H3.
What are the key properties of 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine?
3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine has a molecular weight of 183.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohepta-1,3,6-trien-1-yl)pyridine is sourced from PubChem (CID 142207417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).