3-tert-butylpyridine-2-carbonitrile

C10H12N2 — CID 20725231

IUPAC3-tert-butylpyridine-2-carbonitrile
SMILESCC(C)(C)c1cccnc1C#N
InChIInChI=1S/C10H12N2/c1-10(2,3)8-5-4-6-12-9(8)7-11/h4-6H,1-3H3
InChIKeyXMOXJUWGFXQVKK-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.25
Rot. Bonds

About 3-tert-butylpyridine-2-carbonitrile

3-tert-butylpyridine-2-carbonitrile (PubChem CID 20725231) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-tert-butylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-tert-butylpyridine-2-carbonitrile
PubChem CID20725231
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-tert-butylpyridine-2-carbonitrile
SMILESCC(C)(C)c1cccnc1C#N
InChIInChI=1S/C10H12N2/c1-10(2,3)8-5-4-6-12-9(8)7-11/h4-6H,1-3H3
InChIKeyXMOXJUWGFXQVKK-UHFFFAOYSA-N
XLogP2.25
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpyridine-2-carbonitrile?
The IUPAC name of 3-tert-butylpyridine-2-carbonitrile (CID 20725231) is 3-tert-butylpyridine-2-carbonitrile.
What is the SMILES notation for 3-tert-butylpyridine-2-carbonitrile?
The canonical SMILES for 3-tert-butylpyridine-2-carbonitrile is CC(C)(C)c1cccnc1C#N.
What is the InChIKey of 3-tert-butylpyridine-2-carbonitrile?
The InChIKey is XMOXJUWGFXQVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(2,3)8-5-4-6-12-9(8)7-11/h4-6H,1-3H3.
What are the key properties of 3-tert-butylpyridine-2-carbonitrile?
3-tert-butylpyridine-2-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpyridine-2-carbonitrile is sourced from PubChem (CID 20725231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).