4-(cyanomethyl)-6-methylpyridine-2-carbonitrile

C9H7N3 — CID 170102292

IUPAC4-(cyanomethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(CC#N)cc(C#N)n1
InChIInChI=1S/C9H7N3/c1-7-4-8(2-3-10)5-9(6-11)12-7/h4-5H,2H2,1H3
InChIKeyGONQRZYCSXUMTI-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.33
Rot. Bonds1

About 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile

4-(cyanomethyl)-6-methylpyridine-2-carbonitrile (PubChem CID 170102292) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(cyanomethyl)-6-methylpyridine-2-carbonitrile
PubChem CID170102292
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name4-(cyanomethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(CC#N)cc(C#N)n1
InChIInChI=1S/C9H7N3/c1-7-4-8(2-3-10)5-9(6-11)12-7/h4-5H,2H2,1H3
InChIKeyGONQRZYCSXUMTI-UHFFFAOYSA-N
XLogP1.33
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile (CID 170102292) is 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile is Cc1cc(CC#N)cc(C#N)n1.
What is the InChIKey of 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile?
The InChIKey is GONQRZYCSXUMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c1-7-4-8(2-3-10)5-9(6-11)12-7/h4-5H,2H2,1H3.
What are the key properties of 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile?
4-(cyanomethyl)-6-methylpyridine-2-carbonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 170102292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).