3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine

C13H12ClN3O3 — CID 133304580

IUPAC3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(N2CCCC2c2ccco2)c(Cl)c1
InChIInChI=1S/C13H12ClN3O3/c14-10-7-9(17(18)19)8-15-13(10)16-5-1-3-11(16)12-4-2-6-20-12/h2,4,6-8,11H,1,3,5H2
InChIKeyHWEDRJKGNQSHFG-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.58
Rot. Bonds3

About 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine

3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine (PubChem CID 133304580) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine.

Molecular Properties

Compound Name3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine
PubChem CID133304580
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(N2CCCC2c2ccco2)c(Cl)c1
InChIInChI=1S/C13H12ClN3O3/c14-10-7-9(17(18)19)8-15-13(10)16-5-1-3-11(16)12-4-2-6-20-12/h2,4,6-8,11H,1,3,5H2
InChIKeyHWEDRJKGNQSHFG-UHFFFAOYSA-N
XLogP3.58
TPSA72.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine?
The IUPAC name of 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine (CID 133304580) is 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine.
What is the SMILES notation for 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine?
The canonical SMILES for 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine is O=[N+]([O-])c1cnc(N2CCCC2c2ccco2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine?
The InChIKey is HWEDRJKGNQSHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c14-10-7-9(17(18)19)8-15-13(10)16-5-1-3-11(16)12-4-2-6-20-12/h2,4,6-8,11H,1,3,5H2.
What are the key properties of 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine?
3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine has a molecular weight of 293.71 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine is sourced from PubChem (CID 133304580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).