2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride

C14H12ClN3 — CID 172801598

IUPAC2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
SMILESCl.c1ccc(-c2ccc(-c3ccccn3)[nH]2)nc1
InChIInChI=1S/C14H11N3.ClH/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;/h1-10,17H;1H
InChIKeyQYBYACMAIULIEW-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.56
Rot. Bonds2

About 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride

2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride (PubChem CID 172801598) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
PubChem CID172801598
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
SMILESCl.c1ccc(-c2ccc(-c3ccccn3)[nH]2)nc1
InChIInChI=1S/C14H11N3.ClH/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;/h1-10,17H;1H
InChIKeyQYBYACMAIULIEW-UHFFFAOYSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride?
The IUPAC name of 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride (CID 172801598) is 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride.
What is the SMILES notation for 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride?
The canonical SMILES for 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride is Cl.c1ccc(-c2ccc(-c3ccccn3)[nH]2)nc1.
What is the InChIKey of 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride?
The InChIKey is QYBYACMAIULIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3.ClH/c1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;/h1-10,17H;1H.
What are the key properties of 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride?
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride is sourced from PubChem (CID 172801598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).