2-(furan-2-yl)pyrimidine-5-carbonitrile

C9H5N3O — CID 71743315

IUPAC2-(furan-2-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccco2)nc1
InChIInChI=1S/C9H5N3O/c10-4-7-5-11-9(12-6-7)8-2-1-3-13-8/h1-3,5-6H
InChIKeyZRUKRWLNVCINPF-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.61
Rot. Bonds1

About 2-(furan-2-yl)pyrimidine-5-carbonitrile

2-(furan-2-yl)pyrimidine-5-carbonitrile (PubChem CID 71743315) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-(furan-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)pyrimidine-5-carbonitrile
PubChem CID71743315
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name2-(furan-2-yl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccco2)nc1
InChIInChI=1S/C9H5N3O/c10-4-7-5-11-9(12-6-7)8-2-1-3-13-8/h1-3,5-6H
InChIKeyZRUKRWLNVCINPF-UHFFFAOYSA-N
XLogP1.61
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-(furan-2-yl)pyrimidine-5-carbonitrile (CID 71743315) is 2-(furan-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)pyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccco2)nc1.
What is the InChIKey of 2-(furan-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is ZRUKRWLNVCINPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-4-7-5-11-9(12-6-7)8-2-1-3-13-8/h1-3,5-6H.
What are the key properties of 2-(furan-2-yl)pyrimidine-5-carbonitrile?
2-(furan-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 171.16 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 71743315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).