1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile

C11H9ClFN5 — CID 170351876

IUPAC1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C11H9ClFN5/c12-9-3-8-7(4-15-9)10(17-16-8)18-2-1-11(13,5-14)6-18/h3-4H,1-2,6H2,(H,16,17)
InChIKeyFUMSQNALJHAJBQ-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.05
Rot. Bonds1

About 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile

1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile (PubChem CID 170351876) has the molecular formula C11H9ClFN5 and a molecular weight of 265.68 g/mol. Its IUPAC name is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile
PubChem CID170351876
Molecular FormulaC11H9ClFN5
Molecular Weight265.68 g/mol
Exact Mass265.05
IUPAC Name1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile
SMILESN#CC1(F)CCN(c2n[nH]c3cc(Cl)ncc23)C1
InChIInChI=1S/C11H9ClFN5/c12-9-3-8-7(4-15-9)10(17-16-8)18-2-1-11(13,5-14)6-18/h3-4H,1-2,6H2,(H,16,17)
InChIKeyFUMSQNALJHAJBQ-UHFFFAOYSA-N
XLogP2.05
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile?
The IUPAC name of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile (CID 170351876) is 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile is N#CC1(F)CCN(c2n[nH]c3cc(Cl)ncc23)C1.
What is the InChIKey of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile?
The InChIKey is FUMSQNALJHAJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN5/c12-9-3-8-7(4-15-9)10(17-16-8)18-2-1-11(13,5-14)6-18/h3-4H,1-2,6H2,(H,16,17).
What are the key properties of 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile?
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile has a molecular weight of 265.68 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile is sourced from PubChem (CID 170351876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).