3-(aminomethyl)-6-ethylpyridine-2-carbonitrile

C9H11N3 — CID 142181589

IUPAC3-(aminomethyl)-6-ethylpyridine-2-carbonitrile
SMILESCCc1ccc(CN)c(C#N)n1
InChIInChI=1S/C9H11N3/c1-2-8-4-3-7(5-10)9(6-11)12-8/h3-4H,2,5,10H2,1H3
InChIKeyDBEQUTQVFYLZJM-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.97
Rot. Bonds2

About 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile

3-(aminomethyl)-6-ethylpyridine-2-carbonitrile (PubChem CID 142181589) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-6-ethylpyridine-2-carbonitrile
PubChem CID142181589
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name3-(aminomethyl)-6-ethylpyridine-2-carbonitrile
SMILESCCc1ccc(CN)c(C#N)n1
InChIInChI=1S/C9H11N3/c1-2-8-4-3-7(5-10)9(6-11)12-8/h3-4H,2,5,10H2,1H3
InChIKeyDBEQUTQVFYLZJM-UHFFFAOYSA-N
XLogP0.97
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-3-methylpyridine-2-carbonitrile
CID 139882538
3-bromo-6-ethylpyridine-2-carbonitrile
CID 151363520
3,6-diethylpyridin-2-amine
CID 119085750
6-(aminomethyl)-2-methylpyridine-3-carbonitrile
CID 82502522
3,6-bis(aminomethyl)benzene-1,2-dicarbonitrile
CID 70206262
6-ethyl-2-methylsulfanylpyridine-3-carbonitrile
CID 58990449
5-ethyl-[1,3]thiazolo[4,5-b]pyridine-2-carbonitrile
CID 166975504
6-(aminomethyl)-3-cyano-2-ethylbenzenesulfonyl chloride
CID 131291139
3-(aminomethyl)-2-methyl-6-sulfanylbenzonitrile
CID 174376171
5-(aminomethyl)-2,4-dichlorobenzonitrile
CID 171012671
methyl 3-(aminomethyl)-6-cyano-2-ethylbenzoate
CID 134613829
3-(aminomethyl)-2-methylbenzonitrile
CID 67666670

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile?
The IUPAC name of 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile (CID 142181589) is 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile is CCc1ccc(CN)c(C#N)n1.
What is the InChIKey of 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile?
The InChIKey is DBEQUTQVFYLZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-8-4-3-7(5-10)9(6-11)12-8/h3-4H,2,5,10H2,1H3.
What are the key properties of 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile?
3-(aminomethyl)-6-ethylpyridine-2-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-ethylpyridine-2-carbonitrile is sourced from PubChem (CID 142181589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).