3-(3,5-dichloro-4-pyridinyl)prop-2-enamide

C8H6Cl2N2O — CID 169481565

IUPAC3-(3,5-dichloro-4-pyridinyl)prop-2-enamide
SMILESNC(=O)C=Cc1c(Cl)cncc1Cl
InChIInChI=1S/C8H6Cl2N2O/c9-6-3-12-4-7(10)5(6)1-2-8(11)13/h1-4H,(H2,11,13)
InChIKeyJQHMMTLDMHPZLF-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.89
Rot. Bonds2

About 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide

3-(3,5-dichloro-4-pyridinyl)prop-2-enamide (PubChem CID 169481565) has the molecular formula C8H6Cl2N2O and a molecular weight of 217.06 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,5-dichloro-4-pyridinyl)prop-2-enamide
PubChem CID169481565
Molecular FormulaC8H6Cl2N2O
Molecular Weight217.06 g/mol
Exact Mass215.99
IUPAC Name3-(3,5-dichloro-4-pyridinyl)prop-2-enamide
SMILESNC(=O)C=Cc1c(Cl)cncc1Cl
InChIInChI=1S/C8H6Cl2N2O/c9-6-3-12-4-7(10)5(6)1-2-8(11)13/h1-4H,(H2,11,13)
InChIKeyJQHMMTLDMHPZLF-UHFFFAOYSA-N
XLogP1.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide (CID 169481565) is 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide is NC(=O)C=Cc1c(Cl)cncc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide?
The InChIKey is JQHMMTLDMHPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N2O/c9-6-3-12-4-7(10)5(6)1-2-8(11)13/h1-4H,(H2,11,13).
What are the key properties of 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide?
3-(3,5-dichloro-4-pyridinyl)prop-2-enamide has a molecular weight of 217.06 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-pyridinyl)prop-2-enamide is sourced from PubChem (CID 169481565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).