2-(6-chloro-2-fluoro-3-pyridinyl)acetamide

C7H6ClFN2O — CID 51040790

IUPAC2-(6-chloro-2-fluoro-3-pyridinyl)acetamide
SMILESNC(=O)Cc1ccc(Cl)nc1F
InChIInChI=1S/C7H6ClFN2O/c8-5-2-1-4(3-6(10)12)7(9)11-5/h1-2H,3H2,(H2,10,12)
InChIKeyWUACDDQVORIKNC-UHFFFAOYSA-N
MW188.59 g/mol
LogP0.90
Rot. Bonds2

About 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide

2-(6-chloro-2-fluoro-3-pyridinyl)acetamide (PubChem CID 51040790) has the molecular formula C7H6ClFN2O and a molecular weight of 188.59 g/mol. Its IUPAC name is 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-fluoro-3-pyridinyl)acetamide
PubChem CID51040790
Molecular FormulaC7H6ClFN2O
Molecular Weight188.59 g/mol
Exact Mass188.02
IUPAC Name2-(6-chloro-2-fluoro-3-pyridinyl)acetamide
SMILESNC(=O)Cc1ccc(Cl)nc1F
InChIInChI=1S/C7H6ClFN2O/c8-5-2-1-4(3-6(10)12)7(9)11-5/h1-2H,3H2,(H2,10,12)
InChIKeyWUACDDQVORIKNC-UHFFFAOYSA-N
XLogP0.90
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide?
The IUPAC name of 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide (CID 51040790) is 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide is NC(=O)Cc1ccc(Cl)nc1F.
What is the InChIKey of 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide?
The InChIKey is WUACDDQVORIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2O/c8-5-2-1-4(3-6(10)12)7(9)11-5/h1-2H,3H2,(H2,10,12).
What are the key properties of 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide?
2-(6-chloro-2-fluoro-3-pyridinyl)acetamide has a molecular weight of 188.59 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-fluoro-3-pyridinyl)acetamide is sourced from PubChem (CID 51040790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).