2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide

C9H7Cl3N2O — CID 130857020

IUPAC2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1nc(C)c(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3N2O/c1-4(10)9(15)14-8-7(12)3-6(11)5(2)13-8/h3H,1H2,2H3,(H,13,14,15)
InChIKeySTNYVVGSLQORDA-UHFFFAOYSA-N
MW265.53 g/mol
LogP3.39
Rot. Bonds2

About 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide

2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 130857020) has the molecular formula C9H7Cl3N2O and a molecular weight of 265.53 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide
PubChem CID130857020
Molecular FormulaC9H7Cl3N2O
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide
SMILESC=C(Cl)C(=O)Nc1nc(C)c(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3N2O/c1-4(10)9(15)14-8-7(12)3-6(11)5(2)13-8/h3H,1H2,2H3,(H,13,14,15)
InChIKeySTNYVVGSLQORDA-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 53.39
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 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide (CID 130857020) is 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide is C=C(Cl)C(=O)Nc1nc(C)c(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is STNYVVGSLQORDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N2O/c1-4(10)9(15)14-8-7(12)3-6(11)5(2)13-8/h3H,1H2,2H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide?
2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 265.53 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 130857020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).