6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one

C16H17ClINO3 — CID 146946992

IUPAC6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
SMILESCCn1c(-c2ccc(OCCOC)cc2Cl)ccc(I)c1=O
InChIInChI=1S/C16H17ClINO3/c1-3-19-15(7-6-14(18)16(19)20)12-5-4-11(10-13(12)17)22-9-8-21-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyJCNFBTCQQSBQRI-UHFFFAOYSA-N
MW433.67 g/mol
LogP3.82
Rot. Bonds6

About 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one

6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one (PubChem CID 146946992) has the molecular formula C16H17ClINO3 and a molecular weight of 433.67 g/mol. Its IUPAC name is 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one.

Molecular Properties

Compound Name6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
PubChem CID146946992
Molecular FormulaC16H17ClINO3
Molecular Weight433.67 g/mol
Exact Mass432.99
IUPAC Name6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
SMILESCCn1c(-c2ccc(OCCOC)cc2Cl)ccc(I)c1=O
InChIInChI=1S/C16H17ClINO3/c1-3-19-15(7-6-14(18)16(19)20)12-5-4-11(10-13(12)17)22-9-8-21-2/h4-7,10H,3,8-9H2,1-2H3
InChIKeyJCNFBTCQQSBQRI-UHFFFAOYSA-N
XLogP3.82
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.67
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-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

6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 159941555
3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160746316
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
CID 158306335
3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160891004
2-(2-chloro-4-methoxyphenyl)-1-ethyl-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 158310514
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451453
3-bromo-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethylpyridin-2-one
CID 158626674
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111
3-chloro-6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450614
3-iodo-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159322458
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
3-bromo-6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450808

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one?
The IUPAC name of 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one (CID 146946992) is 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one.
What is the SMILES notation for 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one?
The canonical SMILES for 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one is CCn1c(-c2ccc(OCCOC)cc2Cl)ccc(I)c1=O.
What is the InChIKey of 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one?
The InChIKey is JCNFBTCQQSBQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClINO3/c1-3-19-15(7-6-14(18)16(19)20)12-5-4-11(10-13(12)17)22-9-8-21-2/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one?
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one has a molecular weight of 433.67 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one is sourced from PubChem (CID 146946992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).