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

C15H14N2 — CID 143032025

IUPAC4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine
SMILESc1ccc(C2CN=C(c3ccncc3)C2)cc1
InChIInChI=1S/C15H14N2/c1-2-4-12(5-3-1)14-10-15(17-11-14)13-6-8-16-9-7-13/h1-9,14H,10-11H2
InChIKeyLCQPWHWOOOZEEZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.06
Rot. Bonds2

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

4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine (PubChem CID 143032025) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine.

Molecular Properties

Compound Name4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine
PubChem CID143032025
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine
SMILESc1ccc(C2CN=C(c3ccncc3)C2)cc1
InChIInChI=1S/C15H14N2/c1-2-4-12(5-3-1)14-10-15(17-11-14)13-6-8-16-9-7-13/h1-9,14H,10-11H2
InChIKeyLCQPWHWOOOZEEZ-UHFFFAOYSA-N
XLogP3.06
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine?
The IUPAC name of 4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine (CID 143032025) is 4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine.
What is the SMILES notation for 4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine?
The canonical SMILES for 4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine is c1ccc(C2CN=C(c3ccncc3)C2)cc1.
What is the InChIKey of 4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine?
The InChIKey is LCQPWHWOOOZEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-2-4-12(5-3-1)14-10-15(17-11-14)13-6-8-16-9-7-13/h1-9,14H,10-11H2.
What are the key properties of 4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine?
4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine has a molecular weight of 222.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-3,4-dihydro-2H-pyrrol-5-yl)pyridine is sourced from PubChem (CID 143032025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).