6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane

C13H20N2 — CID 171630717

IUPAC6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane
SMILESCC.CCC(C)c1ncc(C#N)cc1C
InChIInChI=1S/C11H14N2.C2H6/c1-4-8(2)11-9(3)5-10(6-12)7-13-11;1-2/h5,7-8H,4H2,1-3H3;1-2H3
InChIKeyPYHFBTYQAXGYNK-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.80
Rot. Bonds2

About 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane

6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane (PubChem CID 171630717) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane.

Molecular Properties

Compound Name6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane
PubChem CID171630717
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane
SMILESCC.CCC(C)c1ncc(C#N)cc1C
InChIInChI=1S/C11H14N2.C2H6/c1-4-8(2)11-9(3)5-10(6-12)7-13-11;1-2/h5,7-8H,4H2,1-3H3;1-2H3
InChIKeyPYHFBTYQAXGYNK-UHFFFAOYSA-N
XLogP3.80
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane?
The IUPAC name of 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane (CID 171630717) is 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane.
What is the SMILES notation for 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane?
The canonical SMILES for 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane is CC.CCC(C)c1ncc(C#N)cc1C.
What is the InChIKey of 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane?
The InChIKey is PYHFBTYQAXGYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-4-8(2)11-9(3)5-10(6-12)7-13-11;1-2/h5,7-8H,4H2,1-3H3;1-2H3.
What are the key properties of 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane?
6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane has a molecular weight of 204.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane is sourced from PubChem (CID 171630717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).