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

C8H9ClN2O — CID 821593

IUPACN-(2-chloro-3-pyridinyl)propanamide
SMILESCCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C8H9ClN2O/c1-2-7(12)11-6-4-3-5-10-8(6)9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyOSOQFKIQVLVVOD-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.08
Rot. Bonds2

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

N-(2-chloro-3-pyridinyl)propanamide (PubChem CID 821593) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)propanamide
PubChem CID821593
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC NameN-(2-chloro-3-pyridinyl)propanamide
SMILESCCC(=O)Nc1cccnc1Cl
InChIInChI=1S/C8H9ClN2O/c1-2-7(12)11-6-4-3-5-10-8(6)9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyOSOQFKIQVLVVOD-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.08
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-(2-chloro-3-pyridinyl)propanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)propanamide (CID 821593) is N-(2-chloro-3-pyridinyl)propanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)propanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)propanamide is CCC(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)propanamide?
The InChIKey is OSOQFKIQVLVVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-2-7(12)11-6-4-3-5-10-8(6)9/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of N-(2-chloro-3-pyridinyl)propanamide?
N-(2-chloro-3-pyridinyl)propanamide has a molecular weight of 184.63 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)propanamide is sourced from PubChem (CID 821593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).