2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide

C9H11ClFN3O — CID 166427728

IUPAC2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide
SMILESO=C(Nc1cnn2c1CCCC2)C(F)Cl
InChIInChI=1S/C9H11ClFN3O/c10-8(11)9(15)13-6-5-12-14-4-2-1-3-7(6)14/h5,8H,1-4H2,(H,13,15)
InChIKeyRMGZOZCNQPRDCE-UHFFFAOYSA-N
MW231.66 g/mol
LogP1.69
Rot. Bonds2

About 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide

2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide (PubChem CID 166427728) has the molecular formula C9H11ClFN3O and a molecular weight of 231.66 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide
PubChem CID166427728
Molecular FormulaC9H11ClFN3O
Molecular Weight231.66 g/mol
Exact Mass231.06
IUPAC Name2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide
SMILESO=C(Nc1cnn2c1CCCC2)C(F)Cl
InChIInChI=1S/C9H11ClFN3O/c10-8(11)9(15)13-6-5-12-14-4-2-1-3-7(6)14/h5,8H,1-4H2,(H,13,15)
InChIKeyRMGZOZCNQPRDCE-UHFFFAOYSA-N
XLogP1.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide (CID 166427728) is 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide is O=C(Nc1cnn2c1CCCC2)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide?
The InChIKey is RMGZOZCNQPRDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3O/c10-8(11)9(15)13-6-5-12-14-4-2-1-3-7(6)14/h5,8H,1-4H2,(H,13,15).
What are the key properties of 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide?
2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide has a molecular weight of 231.66 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 166427728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).