2-chloro-N-(6-cyano-3-pyridinyl)propanamide

C9H8ClN3O — CID 25141337

IUPAC2-chloro-N-(6-cyano-3-pyridinyl)propanamide
SMILESCC(Cl)C(=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C9H8ClN3O/c1-6(10)9(14)13-8-3-2-7(4-11)12-5-8/h2-3,5-6H,1H3,(H,13,14)
InChIKeyVFOLQYOVUCHHET-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.52
Rot. Bonds2

About 2-chloro-N-(6-cyano-3-pyridinyl)propanamide

2-chloro-N-(6-cyano-3-pyridinyl)propanamide (PubChem CID 25141337) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-chloro-N-(6-cyano-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(6-cyano-3-pyridinyl)propanamide
PubChem CID25141337
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name2-chloro-N-(6-cyano-3-pyridinyl)propanamide
SMILESCC(Cl)C(=O)Nc1ccc(C#N)nc1
InChIInChI=1S/C9H8ClN3O/c1-6(10)9(14)13-8-3-2-7(4-11)12-5-8/h2-3,5-6H,1H3,(H,13,14)
InChIKeyVFOLQYOVUCHHET-UHFFFAOYSA-N
XLogP1.52
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.52
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-N-(6-cyano-3-pyridinyl)propanamide?
The IUPAC name of 2-chloro-N-(6-cyano-3-pyridinyl)propanamide (CID 25141337) is 2-chloro-N-(6-cyano-3-pyridinyl)propanamide.
What is the SMILES notation for 2-chloro-N-(6-cyano-3-pyridinyl)propanamide?
The canonical SMILES for 2-chloro-N-(6-cyano-3-pyridinyl)propanamide is CC(Cl)C(=O)Nc1ccc(C#N)nc1.
What is the InChIKey of 2-chloro-N-(6-cyano-3-pyridinyl)propanamide?
The InChIKey is VFOLQYOVUCHHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-6(10)9(14)13-8-3-2-7(4-11)12-5-8/h2-3,5-6H,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(6-cyano-3-pyridinyl)propanamide?
2-chloro-N-(6-cyano-3-pyridinyl)propanamide has a molecular weight of 209.64 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-cyano-3-pyridinyl)propanamide is sourced from PubChem (CID 25141337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).