N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide

C9H9Cl3N2O — CID 91549225

IUPACN-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ncc(Cl)c(CCl)c1Cl
InChIInChI=1S/C9H9Cl3N2O/c1-2-7(15)14-9-8(12)5(3-10)6(11)4-13-9/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyZQPFOXNOFZIAAZ-UHFFFAOYSA-N
MW267.54 g/mol
LogP3.48
Rot. Bonds3

About N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide

N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide (PubChem CID 91549225) has the molecular formula C9H9Cl3N2O and a molecular weight of 267.54 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide
PubChem CID91549225
Molecular FormulaC9H9Cl3N2O
Molecular Weight267.54 g/mol
Exact Mass265.98
IUPAC NameN-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ncc(Cl)c(CCl)c1Cl
InChIInChI=1S/C9H9Cl3N2O/c1-2-7(15)14-9-8(12)5(3-10)6(11)4-13-9/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyZQPFOXNOFZIAAZ-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 798653
CID 798653
CID 2889757
CID 2889757
CID 686089
CID 686089
CID 2190627
CID 2190627
CID 3557293
CID 3557293
CID 581852
CID 581852
CID 21625970
CID 21625970
CID 811631
CID 811631
CID 318187
CID 318187
CID 5151148
CID 5151148
CID 220485
CID 220485
CID 645923
CID 645923

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide (CID 91549225) is N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide is CCC(=O)Nc1ncc(Cl)c(CCl)c1Cl.
What is the InChIKey of N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide?
The InChIKey is ZQPFOXNOFZIAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3N2O/c1-2-7(15)14-9-8(12)5(3-10)6(11)4-13-9/h4H,2-3H2,1H3,(H,13,14,15).
What are the key properties of N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide?
N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide has a molecular weight of 267.54 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(chloromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 91549225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).