1-pyridin-2-ylcyclopropane-1-carbonitrile

C9H8N2 — CID 18615674

IUPAC1-pyridin-2-ylcyclopropane-1-carbonitrile
SMILESN#CC1(c2ccccn2)CC1
InChIInChI=1S/C9H8N2/c10-7-9(4-5-9)8-3-1-2-6-11-8/h1-3,6H,4-5H2
InChIKeyGAEVNPHZQRROPK-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.64
Rot. Bonds1

About 1-pyridin-2-ylcyclopropane-1-carbonitrile

1-pyridin-2-ylcyclopropane-1-carbonitrile (PubChem CID 18615674) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 1-pyridin-2-ylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-pyridin-2-ylcyclopropane-1-carbonitrile
PubChem CID18615674
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name1-pyridin-2-ylcyclopropane-1-carbonitrile
SMILESN#CC1(c2ccccn2)CC1
InChIInChI=1S/C9H8N2/c10-7-9(4-5-9)8-3-1-2-6-11-8/h1-3,6H,4-5H2
InChIKeyGAEVNPHZQRROPK-UHFFFAOYSA-N
XLogP1.64
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylcyclopropane-1-carbonitrile?
The IUPAC name of 1-pyridin-2-ylcyclopropane-1-carbonitrile (CID 18615674) is 1-pyridin-2-ylcyclopropane-1-carbonitrile.
What is the SMILES notation for 1-pyridin-2-ylcyclopropane-1-carbonitrile?
The canonical SMILES for 1-pyridin-2-ylcyclopropane-1-carbonitrile is N#CC1(c2ccccn2)CC1.
What is the InChIKey of 1-pyridin-2-ylcyclopropane-1-carbonitrile?
The InChIKey is GAEVNPHZQRROPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-7-9(4-5-9)8-3-1-2-6-11-8/h1-3,6H,4-5H2.
What are the key properties of 1-pyridin-2-ylcyclopropane-1-carbonitrile?
1-pyridin-2-ylcyclopropane-1-carbonitrile has a molecular weight of 144.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylcyclopropane-1-carbonitrile is sourced from PubChem (CID 18615674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).