(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile

C7H8N2 — CID 67991669

IUPAC(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile
SMILESC[C@H]1CC=CC(C#N)=N1
InChIInChI=1S/C7H8N2/c1-6-3-2-4-7(5-8)9-6/h2,4,6H,3H2,1H3/t6-/m0/s1
InChIKeyBKZLNYQSFUVCOA-LURJTMIESA-N
MW120.15 g/mol
LogP1.30
Rot. Bonds

About (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile

(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile (PubChem CID 67991669) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile.

Molecular Properties

Compound Name(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile
PubChem CID67991669
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile
SMILESC[C@H]1CC=CC(C#N)=N1
InChIInChI=1S/C7H8N2/c1-6-3-2-4-7(5-8)9-6/h2,4,6H,3H2,1H3/t6-/m0/s1
InChIKeyBKZLNYQSFUVCOA-LURJTMIESA-N
XLogP1.30
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile?
The IUPAC name of (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile (CID 67991669) is (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile.
What is the SMILES notation for (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile?
The canonical SMILES for (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile is C[C@H]1CC=CC(C#N)=N1.
What is the InChIKey of (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile?
The InChIKey is BKZLNYQSFUVCOA-LURJTMIESA-N. The full InChI is InChI=1S/C7H8N2/c1-6-3-2-4-7(5-8)9-6/h2,4,6H,3H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile?
(2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile has a molecular weight of 120.15 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2,3-dihydropyridine-6-carbonitrile is sourced from PubChem (CID 67991669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).