1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone

C18H15FINO3S — CID 123161844

IUPAC1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone
SMILESO=C(COCCO)c1sc2ccncc2c1Cc1ccc(I)cc1F
InChIInChI=1S/C18H15FINO3S/c19-15-8-12(20)2-1-11(15)7-13-14-9-21-4-3-17(14)25-18(13)16(23)10-24-6-5-22/h1-4,8-9,22H,5-7,10H2
InChIKeyQLTBYHNPZQRFPC-UHFFFAOYSA-N
MW471.29 g/mol
LogP3.82
Rot. Bonds7

About 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone

1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone (PubChem CID 123161844) has the molecular formula C18H15FINO3S and a molecular weight of 471.29 g/mol. Its IUPAC name is 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone.

Molecular Properties

Compound Name1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone
PubChem CID123161844
Molecular FormulaC18H15FINO3S
Molecular Weight471.29 g/mol
Exact Mass470.98
IUPAC Name1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone
SMILESO=C(COCCO)c1sc2ccncc2c1Cc1ccc(I)cc1F
InChIInChI=1S/C18H15FINO3S/c19-15-8-12(20)2-1-11(15)7-13-14-9-21-4-3-17(14)25-18(13)16(23)10-24-6-5-22/h1-4,8-9,22H,5-7,10H2
InChIKeyQLTBYHNPZQRFPC-UHFFFAOYSA-N
XLogP3.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzoxazol-6-yl]-2-(2-hydroxyethoxy)ethanone
CID 148535878
1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanone
CID 58431569
1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone
CID 58300341
2-(2-ethenoxyethoxy)-1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,2,3-benzothiadiazol-6-yl]ethanone;1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,2,3-benzothiadiazol-6-yl]-2-(2-hydroxyethoxy)ethanone
CID 161448703
6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-(2-hydroxyethoxy)acetyl]-2,3-dihydroisoindol-1-one
CID 58277494
1-[4-[(2-fluoro-4-methylsulfanylphenyl)methyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(2-hydroxyethoxy)ethanone
CID 58374289
(4S)-1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-4,5-dihydroxypentan-1-one
CID 58431489
N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 163863408
2-(2-ethenoxyethoxy)-1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,2,3-benzothiadiazol-6-yl]ethanone
CID 152916690
2-(1,3-dihydroxypropan-2-yloxy)-1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzothiazol-6-yl]ethanone
CID 149373928
4-chloro-1-[(2-fluoro-4-iodophenyl)methyl]-N-(2-hydroxyethoxy)pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59452200
3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 161217817

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone?
The IUPAC name of 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone (CID 123161844) is 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone.
What is the SMILES notation for 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone?
The canonical SMILES for 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone is O=C(COCCO)c1sc2ccncc2c1Cc1ccc(I)cc1F.
What is the InChIKey of 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone?
The InChIKey is QLTBYHNPZQRFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FINO3S/c19-15-8-12(20)2-1-11(15)7-13-14-9-21-4-3-17(14)25-18(13)16(23)10-24-6-5-22/h1-4,8-9,22H,5-7,10H2.
What are the key properties of 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone?
1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone has a molecular weight of 471.29 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluoro-4-iodophenyl)methyl]thieno[3,2-c]pyridin-2-yl]-2-(2-hydroxyethoxy)ethanone is sourced from PubChem (CID 123161844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).