3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine

C11H12N2 — CID 138565141

IUPAC3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine
SMILESCC1=NCC(C)=C1c1cccnc1
InChIInChI=1S/C11H12N2/c1-8-6-13-9(2)11(8)10-4-3-5-12-7-10/h3-5,7H,6H2,1-2H3
InChIKeyGSJSFUOCEDXZTO-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.33
Rot. Bonds1

About 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine

3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine (PubChem CID 138565141) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine.

Molecular Properties

Compound Name3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine
PubChem CID138565141
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine
SMILESCC1=NCC(C)=C1c1cccnc1
InChIInChI=1S/C11H12N2/c1-8-6-13-9(2)11(8)10-4-3-5-12-7-10/h3-5,7H,6H2,1-2H3
InChIKeyGSJSFUOCEDXZTO-UHFFFAOYSA-N
XLogP2.33
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine?
The IUPAC name of 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine (CID 138565141) is 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine.
What is the SMILES notation for 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine?
The canonical SMILES for 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine is CC1=NCC(C)=C1c1cccnc1.
What is the InChIKey of 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine?
The InChIKey is GSJSFUOCEDXZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-8-6-13-9(2)11(8)10-4-3-5-12-7-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine?
3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine has a molecular weight of 172.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-2H-pyrrol-4-yl)pyridine is sourced from PubChem (CID 138565141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).