2,3-dimethyl-1H-pyrrole;pyridine

C11H14N2 — CID 174958879

IUPAC2,3-dimethyl-1H-pyrrole;pyridine
SMILESCc1cc[nH]c1C.c1ccncc1
InChIInChI=1S/C6H9N.C5H5N/c1-5-3-4-7-6(5)2;1-2-4-6-5-3-1/h3-4,7H,1-2H3;1-5H
InChIKeyKXUBEMIKCIGXPI-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.71
Rot. Bonds

About 2,3-dimethyl-1H-pyrrole;pyridine

2,3-dimethyl-1H-pyrrole;pyridine (PubChem CID 174958879) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3-dimethyl-1H-pyrrole;pyridine.

Molecular Properties

Compound Name2,3-dimethyl-1H-pyrrole;pyridine
PubChem CID174958879
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3-dimethyl-1H-pyrrole;pyridine
SMILESCc1cc[nH]c1C.c1ccncc1
InChIInChI=1S/C6H9N.C5H5N/c1-5-3-4-7-6(5)2;1-2-4-6-5-3-1/h3-4,7H,1-2H3;1-5H
InChIKeyKXUBEMIKCIGXPI-UHFFFAOYSA-N
XLogP2.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-pyrrole;pyridine?
The IUPAC name of 2,3-dimethyl-1H-pyrrole;pyridine (CID 174958879) is 2,3-dimethyl-1H-pyrrole;pyridine.
What is the SMILES notation for 2,3-dimethyl-1H-pyrrole;pyridine?
The canonical SMILES for 2,3-dimethyl-1H-pyrrole;pyridine is Cc1cc[nH]c1C.c1ccncc1.
What is the InChIKey of 2,3-dimethyl-1H-pyrrole;pyridine?
The InChIKey is KXUBEMIKCIGXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C5H5N/c1-5-3-4-7-6(5)2;1-2-4-6-5-3-1/h3-4,7H,1-2H3;1-5H.
What are the key properties of 2,3-dimethyl-1H-pyrrole;pyridine?
2,3-dimethyl-1H-pyrrole;pyridine has a molecular weight of 174.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-pyrrole;pyridine is sourced from PubChem (CID 174958879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).