3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide

C9H10Cl2N2O — CID 130603866

IUPAC3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide
SMILESCc1cc(Cl)cnc1NC(=O)CCCl
InChIInChI=1S/C9H10Cl2N2O/c1-6-4-7(11)5-12-9(6)13-8(14)2-3-10/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyPQILTJAXGUCCHP-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.61
Rot. Bonds3

About 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide

3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide (PubChem CID 130603866) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide
PubChem CID130603866
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide
SMILESCc1cc(Cl)cnc1NC(=O)CCCl
InChIInChI=1S/C9H10Cl2N2O/c1-6-4-7(11)5-12-9(6)13-8(14)2-3-10/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyPQILTJAXGUCCHP-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide (CID 130603866) is 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide is Cc1cc(Cl)cnc1NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide?
The InChIKey is PQILTJAXGUCCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-6-4-7(11)5-12-9(6)13-8(14)2-3-10/h4-5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide?
3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide has a molecular weight of 233.10 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 130603866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).