2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine

C12H14N2 — CID 751534

IUPAC2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine
SMILESCc1ccc(-n2c(C)ccc2C)nc1
InChIInChI=1S/C12H14N2/c1-9-4-7-12(13-8-9)14-10(2)5-6-11(14)3/h4-8H,1-3H3
InChIKeyUCPKJCXDROIAQU-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.80
Rot. Bonds1

About 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine

2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine (PubChem CID 751534) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine
PubChem CID751534
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine
SMILESCc1ccc(-n2c(C)ccc2C)nc1
InChIInChI=1S/C12H14N2/c1-9-4-7-12(13-8-9)14-10(2)5-6-11(14)3/h4-8H,1-3H3
InChIKeyUCPKJCXDROIAQU-UHFFFAOYSA-N
XLogP2.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine (CID 751534) is 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine is Cc1ccc(-n2c(C)ccc2C)nc1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine?
The InChIKey is UCPKJCXDROIAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-7-12(13-8-9)14-10(2)5-6-11(14)3/h4-8H,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine?
2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine has a molecular weight of 186.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-5-methylpyridine is sourced from PubChem (CID 751534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).