2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine

C17H17N3O — CID 102140816

IUPAC2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine
SMILESc1ccc(-c2ccc(COCCn3cccc3)cn2)nc1
InChIInChI=1S/C17H17N3O/c1-2-8-18-16(5-1)17-7-6-15(13-19-17)14-21-12-11-20-9-3-4-10-20/h1-10,13H,11-12,14H2
InChIKeyZOPFBGPOBFUGFJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.16
Rot. Bonds6

About 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine

2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine (PubChem CID 102140816) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine
PubChem CID102140816
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine
SMILESc1ccc(-c2ccc(COCCn3cccc3)cn2)nc1
InChIInChI=1S/C17H17N3O/c1-2-8-18-16(5-1)17-7-6-15(13-19-17)14-21-12-11-20-9-3-4-10-20/h1-10,13H,11-12,14H2
InChIKeyZOPFBGPOBFUGFJ-UHFFFAOYSA-N
XLogP3.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(methoxymethyl)-2-pyridin-2-ylpyridine
CID 58454942
2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethyl]pyridine
CID 102191368
2-(6-pyridin-2-yl-3-pyridinyl)acetonitrile
CID 121008779
ethane;5-ethyl-2-pyridin-2-ylpyridine
CID 143067787
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine
CID 136548930
CID 101437421
CID 101437421
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine?
The IUPAC name of 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine (CID 102140816) is 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine.
What is the SMILES notation for 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine?
The canonical SMILES for 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine is c1ccc(-c2ccc(COCCn3cccc3)cn2)nc1.
What is the InChIKey of 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine?
The InChIKey is ZOPFBGPOBFUGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-8-18-16(5-1)17-7-6-15(13-19-17)14-21-12-11-20-9-3-4-10-20/h1-10,13H,11-12,14H2.
What are the key properties of 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine?
2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine has a molecular weight of 279.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-(2-pyrrol-1-ylethoxymethyl)pyridine is sourced from PubChem (CID 102140816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).