6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile

C12H16N2O — CID 177024244

IUPAC6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile
SMILESCCc1nc(C)c(C#N)c(C)c1C(C)O
InChIInChI=1S/C12H16N2O/c1-5-11-12(9(4)15)7(2)10(6-13)8(3)14-11/h9,15H,5H2,1-4H3
InChIKeyBVAKNQHSGYAZIV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.19
Rot. Bonds2

About 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile

6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 177024244) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile
PubChem CID177024244
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile
SMILESCCc1nc(C)c(C#N)c(C)c1C(C)O
InChIInChI=1S/C12H16N2O/c1-5-11-12(9(4)15)7(2)10(6-13)8(3)14-11/h9,15H,5H2,1-4H3
InChIKeyBVAKNQHSGYAZIV-UHFFFAOYSA-N
XLogP2.19
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile (CID 177024244) is 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile is CCc1nc(C)c(C#N)c(C)c1C(C)O.
What is the InChIKey of 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is BVAKNQHSGYAZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-5-11-12(9(4)15)7(2)10(6-13)8(3)14-11/h9,15H,5H2,1-4H3.
What are the key properties of 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile?
6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(1-hydroxyethyl)-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 177024244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).