2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide

C10H7Cl2FN4O — CID 166427521

IUPAC2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide
SMILESO=C(Nc1cnn(-c2ncccc2Cl)c1)C(F)Cl
InChIInChI=1S/C10H7Cl2FN4O/c11-7-2-1-3-14-9(7)17-5-6(4-15-17)16-10(18)8(12)13/h1-5,8H,(H,16,18)
InChIKeyHOFDDPQRXKOHQF-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide

2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide (PubChem CID 166427521) has the molecular formula C10H7Cl2FN4O and a molecular weight of 289.10 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide
PubChem CID166427521
Molecular FormulaC10H7Cl2FN4O
Molecular Weight289.10 g/mol
Exact Mass288.00
IUPAC Name2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide
SMILESO=C(Nc1cnn(-c2ncccc2Cl)c1)C(F)Cl
InChIInChI=1S/C10H7Cl2FN4O/c11-7-2-1-3-14-9(7)17-5-6(4-15-17)16-10(18)8(12)13/h1-5,8H,(H,16,18)
InChIKeyHOFDDPQRXKOHQF-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide (CID 166427521) is 2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide is O=C(Nc1cnn(-c2ncccc2Cl)c1)C(F)Cl.
What is the InChIKey of 2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide?
The InChIKey is HOFDDPQRXKOHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN4O/c11-7-2-1-3-14-9(7)17-5-6(4-15-17)16-10(18)8(12)13/h1-5,8H,(H,16,18).
What are the key properties of 2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide?
2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide has a molecular weight of 289.10 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]-2-fluoroacetamide is sourced from PubChem (CID 166427521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).