bis(2-methylpropane);3-pyridin-3-ylpyridine

C18H28N2 — CID 158581875

IUPACbis(2-methylpropane);3-pyridin-3-ylpyridine
SMILESCC(C)C.CC(C)C.c1cncc(-c2cccnc2)c1
InChIInChI=1S/C10H8N2.2C4H10/c1-3-9(7-11-5-1)10-4-2-6-12-8-10;2*1-4(2)3/h1-8H;2*4H,1-3H3
InChIKeyHTIRKORWGHUUDW-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.47
Rot. Bonds1

About bis(2-methylpropane);3-pyridin-3-ylpyridine

bis(2-methylpropane);3-pyridin-3-ylpyridine (PubChem CID 158581875) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is bis(2-methylpropane);3-pyridin-3-ylpyridine.

Molecular Properties

Compound Namebis(2-methylpropane);3-pyridin-3-ylpyridine
PubChem CID158581875
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Namebis(2-methylpropane);3-pyridin-3-ylpyridine
SMILESCC(C)C.CC(C)C.c1cncc(-c2cccnc2)c1
InChIInChI=1S/C10H8N2.2C4H10/c1-3-9(7-11-5-1)10-4-2-6-12-8-10;2*1-4(2)3/h1-8H;2*4H,1-3H3
InChIKeyHTIRKORWGHUUDW-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropane);3-pyridin-3-ylpyridine?
The IUPAC name of bis(2-methylpropane);3-pyridin-3-ylpyridine (CID 158581875) is bis(2-methylpropane);3-pyridin-3-ylpyridine.
What is the SMILES notation for bis(2-methylpropane);3-pyridin-3-ylpyridine?
The canonical SMILES for bis(2-methylpropane);3-pyridin-3-ylpyridine is CC(C)C.CC(C)C.c1cncc(-c2cccnc2)c1.
What is the InChIKey of bis(2-methylpropane);3-pyridin-3-ylpyridine?
The InChIKey is HTIRKORWGHUUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.2C4H10/c1-3-9(7-11-5-1)10-4-2-6-12-8-10;2*1-4(2)3/h1-8H;2*4H,1-3H3.
What are the key properties of bis(2-methylpropane);3-pyridin-3-ylpyridine?
bis(2-methylpropane);3-pyridin-3-ylpyridine has a molecular weight of 272.44 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropane);3-pyridin-3-ylpyridine is sourced from PubChem (CID 158581875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).