6-ethyl-2,5-dihydropyridine-3-carbonitrile

C8H10N2 — CID 123995203

IUPAC6-ethyl-2,5-dihydropyridine-3-carbonitrile
SMILESCCC1=NCC(C#N)=CC1
InChIInChI=1S/C8H10N2/c1-2-8-4-3-7(5-9)6-10-8/h3H,2,4,6H2,1H3
InChIKeyDYAISEUZZLPMIB-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.69
Rot. Bonds1

About 6-ethyl-2,5-dihydropyridine-3-carbonitrile

6-ethyl-2,5-dihydropyridine-3-carbonitrile (PubChem CID 123995203) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 6-ethyl-2,5-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2,5-dihydropyridine-3-carbonitrile
PubChem CID123995203
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name6-ethyl-2,5-dihydropyridine-3-carbonitrile
SMILESCCC1=NCC(C#N)=CC1
InChIInChI=1S/C8H10N2/c1-2-8-4-3-7(5-9)6-10-8/h3H,2,4,6H2,1H3
InChIKeyDYAISEUZZLPMIB-UHFFFAOYSA-N
XLogP1.69
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethyl-2,3-dihydropyridine-3-carbonitrile
CID 69510804
(E)-2-(C,N-dimethylcarbonimidoyl)hept-2-enenitrile
CID 123328094
(Z)-2-methylidene-3-methyliminohex-4-enenitrile
CID 123452029
5-Methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile
CID 123764276
(2E)-2-ethylidene-5-methyl-3-methyliminohex-4-enenitrile
CID 123919888
3,6-Dimethyl-2,3-dihydropyridine-5-carbonitrile
CID 137427570
2-(4-Methyl-2,3-dihydropyridin-6-yl)acetonitrile
CID 141907098
2,4-Dimethyl-2,3-dihydropyridine-6-carbonitrile
CID 143620826
2-[(2S)-2-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydropyridin-6-yl]acetonitrile
CID 149442885
2-[6-(Cyanomethyl)-2,3-dihydropyridin-5-yl]acetonitrile
CID 169557626
5-(C,N-dimethylcarbonimidoyl)-2-methylcyclohexa-1,5-diene-1-carbonitrile
CID 142562106
(4Z)-4-ethylidene-3-propan-2-yliminocyclohexa-1,5-diene-1-carbonitrile
CID 144257402

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,5-dihydropyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-2,5-dihydropyridine-3-carbonitrile (CID 123995203) is 6-ethyl-2,5-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-2,5-dihydropyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-2,5-dihydropyridine-3-carbonitrile is CCC1=NCC(C#N)=CC1.
What is the InChIKey of 6-ethyl-2,5-dihydropyridine-3-carbonitrile?
The InChIKey is DYAISEUZZLPMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-8-4-3-7(5-9)6-10-8/h3H,2,4,6H2,1H3.
What are the key properties of 6-ethyl-2,5-dihydropyridine-3-carbonitrile?
6-ethyl-2,5-dihydropyridine-3-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,5-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 123995203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).