2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide

C9H7Cl3N2O2 — CID 3780869

IUPAC2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C(Cl)=C(Cl)Cl)cn1
InChIInChI=1S/C9H7Cl3N2O2/c1-16-6-3-2-5(4-13-6)14-9(15)7(10)8(11)12/h2-4H,1H3,(H,14,15)
InChIKeyARRYTWLDUDIQJR-UHFFFAOYSA-N
MW281.53 g/mol
LogP2.91
Rot. Bonds3

About 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide

2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide (PubChem CID 3780869) has the molecular formula C9H7Cl3N2O2 and a molecular weight of 281.53 g/mol. Its IUPAC name is 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
PubChem CID3780869
Molecular FormulaC9H7Cl3N2O2
Molecular Weight281.53 g/mol
Exact Mass279.96
IUPAC Name2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C(Cl)=C(Cl)Cl)cn1
InChIInChI=1S/C9H7Cl3N2O2/c1-16-6-3-2-5(4-13-6)14-9(15)7(10)8(11)12/h2-4H,1H3,(H,14,15)
InChIKeyARRYTWLDUDIQJR-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide
CID 2779657
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
N-(6-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propanamide
CID 62834491
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
CID 154047378
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
(2S)-2-amino-N-(6-methoxy-3-pyridinyl)butanamide
CID 79025042

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide (CID 3780869) is 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide is COc1ccc(NC(=O)C(Cl)=C(Cl)Cl)cn1.
What is the InChIKey of 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The InChIKey is ARRYTWLDUDIQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N2O2/c1-16-6-3-2-5(4-13-6)14-9(15)7(10)8(11)12/h2-4H,1H3,(H,14,15).
What are the key properties of 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide has a molecular weight of 281.53 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 3780869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).