3,4-diethylpyridine-2-carbonitrile

C10H12N2 — CID 139882541

IUPAC3,4-diethylpyridine-2-carbonitrile
SMILESCCc1ccnc(C#N)c1CC
InChIInChI=1S/C10H12N2/c1-3-8-5-6-12-10(7-11)9(8)4-2/h5-6H,3-4H2,1-2H3
InChIKeyYBQIJFWZHOGADM-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.08
Rot. Bonds2

About 3,4-diethylpyridine-2-carbonitrile

3,4-diethylpyridine-2-carbonitrile (PubChem CID 139882541) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3,4-diethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3,4-diethylpyridine-2-carbonitrile
PubChem CID139882541
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3,4-diethylpyridine-2-carbonitrile
SMILESCCc1ccnc(C#N)c1CC
InChIInChI=1S/C10H12N2/c1-3-8-5-6-12-10(7-11)9(8)4-2/h5-6H,3-4H2,1-2H3
InChIKeyYBQIJFWZHOGADM-UHFFFAOYSA-N
XLogP2.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3,4-diethylpyridine
CID 91256664
ethyl 2-(2-cyano-3-methyl-4-pyridinyl)acetate
CID 133097445
2,3,4-triethylbenzonitrile
CID 22750758
4-[(3-ethyl-5,8-difluoro-1,4-dioxonaphthalen-2-yl)methyl]-3-fluoropyridine-2-carbonitrile
CID 175838810
methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
CID 130777634
4-ethoxy-3-methylpyridine-2-carbonitrile
CID 55253072
(2,4-diethyl-3-pyridinyl)methanol
CID 59589353
3-(chloromethyl)-2,4-diethylpyridine
CID 168797457
4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride
CID 141028452
3,4-dimethylpyridine-2-carbonitrile
CID 23003409
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylpyridine-2-carbonitrile?
The IUPAC name of 3,4-diethylpyridine-2-carbonitrile (CID 139882541) is 3,4-diethylpyridine-2-carbonitrile.
What is the SMILES notation for 3,4-diethylpyridine-2-carbonitrile?
The canonical SMILES for 3,4-diethylpyridine-2-carbonitrile is CCc1ccnc(C#N)c1CC.
What is the InChIKey of 3,4-diethylpyridine-2-carbonitrile?
The InChIKey is YBQIJFWZHOGADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-8-5-6-12-10(7-11)9(8)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-diethylpyridine-2-carbonitrile?
3,4-diethylpyridine-2-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylpyridine-2-carbonitrile is sourced from PubChem (CID 139882541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).