N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide

C7H5Cl2FN2O — CID 170778488

IUPACN-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1nc(Cl)c(Cl)cc1F
InChIInChI=1S/C7H5Cl2FN2O/c1-3(13)11-7-5(10)2-4(8)6(9)12-7/h2H,1H3,(H,11,12,13)
InChIKeyDFUULIMHLBXNLZ-UHFFFAOYSA-N
MW223.03 g/mol
LogP2.49
Rot. Bonds1

About N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide

N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide (PubChem CID 170778488) has the molecular formula C7H5Cl2FN2O and a molecular weight of 223.03 g/mol. Its IUPAC name is N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide
PubChem CID170778488
Molecular FormulaC7H5Cl2FN2O
Molecular Weight223.03 g/mol
Exact Mass221.98
IUPAC NameN-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide
SMILESCC(=O)Nc1nc(Cl)c(Cl)cc1F
InChIInChI=1S/C7H5Cl2FN2O/c1-3(13)11-7-5(10)2-4(8)6(9)12-7/h2H,1H3,(H,11,12,13)
InChIKeyDFUULIMHLBXNLZ-UHFFFAOYSA-N
XLogP2.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.03
LogP ≤ 52.49
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 N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide?
The IUPAC name of N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide (CID 170778488) is N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide.
What is the SMILES notation for N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide?
The canonical SMILES for N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide is CC(=O)Nc1nc(Cl)c(Cl)cc1F.
What is the InChIKey of N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide?
The InChIKey is DFUULIMHLBXNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2FN2O/c1-3(13)11-7-5(10)2-4(8)6(9)12-7/h2H,1H3,(H,11,12,13).
What are the key properties of N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide?
N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide has a molecular weight of 223.03 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloro-3-fluoro-2-pyridinyl)acetamide is sourced from PubChem (CID 170778488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).