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

C8H9N3 — CID 82502522

IUPAC6-(aminomethyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(CN)ccc1C#N
InChIInChI=1S/C8H9N3/c1-6-7(4-9)2-3-8(5-10)11-6/h2-3H,5,10H2,1H3
InChIKeyFUKLRLXKGHCWEN-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.72
Rot. Bonds1

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

6-(aminomethyl)-2-methylpyridine-3-carbonitrile (PubChem CID 82502522) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(aminomethyl)-2-methylpyridine-3-carbonitrile
PubChem CID82502522
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name6-(aminomethyl)-2-methylpyridine-3-carbonitrile
SMILESCc1nc(CN)ccc1C#N
InChIInChI=1S/C8H9N3/c1-6-7(4-9)2-3-8(5-10)11-6/h2-3H,5,10H2,1H3
InChIKeyFUKLRLXKGHCWEN-UHFFFAOYSA-N
XLogP0.72
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(aminomethyl)-2-methylpyridine-3-carbonitrile (CID 82502522) is 6-(aminomethyl)-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(aminomethyl)-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(aminomethyl)-2-methylpyridine-3-carbonitrile is Cc1nc(CN)ccc1C#N.
What is the InChIKey of 6-(aminomethyl)-2-methylpyridine-3-carbonitrile?
The InChIKey is FUKLRLXKGHCWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-7(4-9)2-3-8(5-10)11-6/h2-3H,5,10H2,1H3.
What are the key properties of 6-(aminomethyl)-2-methylpyridine-3-carbonitrile?
6-(aminomethyl)-2-methylpyridine-3-carbonitrile has a molecular weight of 147.18 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 82502522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).