4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine

C14H16N2 — CID 89458114

IUPAC4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine
SMILESCc1c(-c2cccnc2)cncc1C(C)C
InChIInChI=1S/C14H16N2/c1-10(2)13-8-16-9-14(11(13)3)12-5-4-6-15-7-12/h4-10H,1-3H3
InChIKeyKUUSLTVRXLMOBM-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.58
Rot. Bonds2

About 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine

4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine (PubChem CID 89458114) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine
PubChem CID89458114
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine
SMILESCc1c(-c2cccnc2)cncc1C(C)C
InChIInChI=1S/C14H16N2/c1-10(2)13-8-16-9-14(11(13)3)12-5-4-6-15-7-12/h4-10H,1-3H3
InChIKeyKUUSLTVRXLMOBM-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine?
The IUPAC name of 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine (CID 89458114) is 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine.
What is the SMILES notation for 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine?
The canonical SMILES for 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine is Cc1c(-c2cccnc2)cncc1C(C)C.
What is the InChIKey of 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine?
The InChIKey is KUUSLTVRXLMOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10(2)13-8-16-9-14(11(13)3)12-5-4-6-15-7-12/h4-10H,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine?
4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine has a molecular weight of 212.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-5-pyridin-3-ylpyridine is sourced from PubChem (CID 89458114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).