4-(5-propyl-1H-pyrrol-3-yl)pyridine

C12H14N2 — CID 91212718

IUPAC4-(5-propyl-1H-pyrrol-3-yl)pyridine
SMILESCCCc1cc(-c2ccncc2)c[nH]1
InChIInChI=1S/C12H14N2/c1-2-3-12-8-11(9-14-12)10-4-6-13-7-5-10/h4-9,14H,2-3H2,1H3
InChIKeyXLUZNPJQXXDUKZ-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.03
Rot. Bonds3

About 4-(5-propyl-1H-pyrrol-3-yl)pyridine

4-(5-propyl-1H-pyrrol-3-yl)pyridine (PubChem CID 91212718) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(5-propyl-1H-pyrrol-3-yl)pyridine.

Molecular Properties

Compound Name4-(5-propyl-1H-pyrrol-3-yl)pyridine
PubChem CID91212718
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-(5-propyl-1H-pyrrol-3-yl)pyridine
SMILESCCCc1cc(-c2ccncc2)c[nH]1
InChIInChI=1S/C12H14N2/c1-2-3-12-8-11(9-14-12)10-4-6-13-7-5-10/h4-9,14H,2-3H2,1H3
InChIKeyXLUZNPJQXXDUKZ-UHFFFAOYSA-N
XLogP3.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propyl-1H-pyrrol-3-yl)pyridine?
The IUPAC name of 4-(5-propyl-1H-pyrrol-3-yl)pyridine (CID 91212718) is 4-(5-propyl-1H-pyrrol-3-yl)pyridine.
What is the SMILES notation for 4-(5-propyl-1H-pyrrol-3-yl)pyridine?
The canonical SMILES for 4-(5-propyl-1H-pyrrol-3-yl)pyridine is CCCc1cc(-c2ccncc2)c[nH]1.
What is the InChIKey of 4-(5-propyl-1H-pyrrol-3-yl)pyridine?
The InChIKey is XLUZNPJQXXDUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-3-12-8-11(9-14-12)10-4-6-13-7-5-10/h4-9,14H,2-3H2,1H3.
What are the key properties of 4-(5-propyl-1H-pyrrol-3-yl)pyridine?
4-(5-propyl-1H-pyrrol-3-yl)pyridine has a molecular weight of 186.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propyl-1H-pyrrol-3-yl)pyridine is sourced from PubChem (CID 91212718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).