5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one

C11H10Cl2N2O2 — CID 150275979

IUPAC5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one
SMILESO=C1OCC=C(NCc2ccc(Cl)nc2)C1Cl
InChIInChI=1S/C11H10Cl2N2O2/c12-9-2-1-7(6-15-9)5-14-8-3-4-17-11(16)10(8)13/h1-3,6,10,14H,4-5H2
InChIKeyGEONRMSPWOWMAN-UHFFFAOYSA-N
MW273.12 g/mol
LogP1.87
Rot. Bonds3

About 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one

5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one (PubChem CID 150275979) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one.

Molecular Properties

Compound Name5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one
PubChem CID150275979
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one
SMILESO=C1OCC=C(NCc2ccc(Cl)nc2)C1Cl
InChIInChI=1S/C11H10Cl2N2O2/c12-9-2-1-7(6-15-9)5-14-8-3-4-17-11(16)10(8)13/h1-3,6,10,14H,4-5H2
InChIKeyGEONRMSPWOWMAN-UHFFFAOYSA-N
XLogP1.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxyethyl (Z)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyanobut-2-enoate
CID 11001843
2-ethoxyethyl (Z)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyanopent-2-enoate
CID 11035122
2-ethoxyethyl (Z)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-4-methylpent-2-enoate
CID 11810290
3-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]-2H-furan-5-one
CID 168288115
4-[[(6-chloropyridin-3-yl)methyl](2-chloro-2-fluoroethyl)amino]furan-2(5H)-one
CID 57908393
4-chloro-3-[(6-chloro-3-pyridinyl)methyl-(2-fluoroethyl)amino]-2H-furan-5-one
CID 87452492
3-[(6-chloro-3-pyridinyl)methyl-(difluoromethyl)-lambda3-chloranyl]-2H-furan-5-one
CID 144150304
4-[(6-Chloro-3-pyridinyl)methylamino]-6-methylpyran-2-one
CID 21757796
4-[(3-chloropropyl)[(6-chloropyridin-3-yl)methyl]amino]furan-2(5H)-one
CID 57779805
4-chloro-3-[(6-chloro-3-pyridinyl)methylamino]-2-(hydroxymethyl)-2H-furan-5-one
CID 57779821
ethyl (2Z)-3-(2-chloropyridin-3-yl)-2-cyano-3-(propylamino)acrylate
CID 58319383
4-[[(6-chloropyridin-3-yl)methyl]amino]furan-2(5H)-one
CID 59843552

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one?
The IUPAC name of 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one (CID 150275979) is 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one.
What is the SMILES notation for 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one?
The canonical SMILES for 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one is O=C1OCC=C(NCc2ccc(Cl)nc2)C1Cl.
What is the InChIKey of 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one?
The InChIKey is GEONRMSPWOWMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c12-9-2-1-7(6-15-9)5-14-8-3-4-17-11(16)10(8)13/h1-3,6,10,14H,4-5H2.
What are the key properties of 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one?
5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one has a molecular weight of 273.12 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(6-chloro-3-pyridinyl)methylamino]-2,5-dihydropyran-6-one is sourced from PubChem (CID 150275979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).