4-propan-2-yl-3-pyridin-4-ylpyridine

C13H14N2 — CID 138726377

IUPAC4-propan-2-yl-3-pyridin-4-ylpyridine
SMILESCC(C)c1ccncc1-c1ccncc1
InChIInChI=1S/C13H14N2/c1-10(2)12-5-8-15-9-13(12)11-3-6-14-7-4-11/h3-10H,1-2H3
InChIKeyMQZAQNLAVZBOPX-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.27
Rot. Bonds2

About 4-propan-2-yl-3-pyridin-4-ylpyridine

4-propan-2-yl-3-pyridin-4-ylpyridine (PubChem CID 138726377) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-propan-2-yl-3-pyridin-4-ylpyridine.

Molecular Properties

Compound Name4-propan-2-yl-3-pyridin-4-ylpyridine
PubChem CID138726377
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4-propan-2-yl-3-pyridin-4-ylpyridine
SMILESCC(C)c1ccncc1-c1ccncc1
InChIInChI=1S/C13H14N2/c1-10(2)12-5-8-15-9-13(12)11-3-6-14-7-4-11/h3-10H,1-2H3
InChIKeyMQZAQNLAVZBOPX-UHFFFAOYSA-N
XLogP3.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-pyridin-4-ylpyridine?
The IUPAC name of 4-propan-2-yl-3-pyridin-4-ylpyridine (CID 138726377) is 4-propan-2-yl-3-pyridin-4-ylpyridine.
What is the SMILES notation for 4-propan-2-yl-3-pyridin-4-ylpyridine?
The canonical SMILES for 4-propan-2-yl-3-pyridin-4-ylpyridine is CC(C)c1ccncc1-c1ccncc1.
What is the InChIKey of 4-propan-2-yl-3-pyridin-4-ylpyridine?
The InChIKey is MQZAQNLAVZBOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10(2)12-5-8-15-9-13(12)11-3-6-14-7-4-11/h3-10H,1-2H3.
What are the key properties of 4-propan-2-yl-3-pyridin-4-ylpyridine?
4-propan-2-yl-3-pyridin-4-ylpyridine has a molecular weight of 198.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-pyridin-4-ylpyridine is sourced from PubChem (CID 138726377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).