6-ethyl-2,4-dimethylpyridine-3-carbonitrile

C10H12N2 — CID 88990253

IUPAC6-ethyl-2,4-dimethylpyridine-3-carbonitrile
SMILESCCc1cc(C)c(C#N)c(C)n1
InChIInChI=1S/C10H12N2/c1-4-9-5-7(2)10(6-11)8(3)12-9/h5H,4H2,1-3H3
InChIKeyLDNDWCYFUBWHEY-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.13
Rot. Bonds1

About 6-ethyl-2,4-dimethylpyridine-3-carbonitrile

6-ethyl-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 88990253) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 6-ethyl-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2,4-dimethylpyridine-3-carbonitrile
PubChem CID88990253
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name6-ethyl-2,4-dimethylpyridine-3-carbonitrile
SMILESCCc1cc(C)c(C#N)c(C)n1
InChIInChI=1S/C10H12N2/c1-4-9-5-7(2)10(6-11)8(3)12-9/h5H,4H2,1-3H3
InChIKeyLDNDWCYFUBWHEY-UHFFFAOYSA-N
XLogP2.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-2,4-dimethylpyridine-3-carbonitrile (CID 88990253) is 6-ethyl-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-2,4-dimethylpyridine-3-carbonitrile is CCc1cc(C)c(C#N)c(C)n1.
What is the InChIKey of 6-ethyl-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is LDNDWCYFUBWHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-9-5-7(2)10(6-11)8(3)12-9/h5H,4H2,1-3H3.
What are the key properties of 6-ethyl-2,4-dimethylpyridine-3-carbonitrile?
6-ethyl-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 88990253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).