2-ethyl-5-(1H-pyrrol-2-yl)pyridine

C11H12N2 — CID 138502463

IUPAC2-ethyl-5-(1H-pyrrol-2-yl)pyridine
SMILESCCc1ccc(-c2ccc[nH]2)cn1
InChIInChI=1S/C11H12N2/c1-2-10-6-5-9(8-13-10)11-4-3-7-12-11/h3-8,12H,2H2,1H3
InChIKeyWKVJPEGNYGHHNQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.64
Rot. Bonds2

About 2-ethyl-5-(1H-pyrrol-2-yl)pyridine

2-ethyl-5-(1H-pyrrol-2-yl)pyridine (PubChem CID 138502463) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-ethyl-5-(1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name2-ethyl-5-(1H-pyrrol-2-yl)pyridine
PubChem CID138502463
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-ethyl-5-(1H-pyrrol-2-yl)pyridine
SMILESCCc1ccc(-c2ccc[nH]2)cn1
InChIInChI=1S/C11H12N2/c1-2-10-6-5-9(8-13-10)11-4-3-7-12-11/h3-8,12H,2H2,1H3
InChIKeyWKVJPEGNYGHHNQ-UHFFFAOYSA-N
XLogP2.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1H-pyrrol-2-yl)pyridine?
The IUPAC name of 2-ethyl-5-(1H-pyrrol-2-yl)pyridine (CID 138502463) is 2-ethyl-5-(1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 2-ethyl-5-(1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 2-ethyl-5-(1H-pyrrol-2-yl)pyridine is CCc1ccc(-c2ccc[nH]2)cn1.
What is the InChIKey of 2-ethyl-5-(1H-pyrrol-2-yl)pyridine?
The InChIKey is WKVJPEGNYGHHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-10-6-5-9(8-13-10)11-4-3-7-12-11/h3-8,12H,2H2,1H3.
What are the key properties of 2-ethyl-5-(1H-pyrrol-2-yl)pyridine?
2-ethyl-5-(1H-pyrrol-2-yl)pyridine has a molecular weight of 172.23 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 138502463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).