5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one

C13H10IN3O — CID 138687318

IUPAC5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1ccc(Cn2ncc3cc(I)ccc32)c[nH]1
InChIInChI=1S/C13H10IN3O/c14-11-2-3-12-10(5-11)7-16-17(12)8-9-1-4-13(18)15-6-9/h1-7H,8H2,(H,15,18)
InChIKeyQYUMFHAVVIESIY-UHFFFAOYSA-N
MW351.15 g/mol
LogP2.38
Rot. Bonds2

About 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one

5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 138687318) has the molecular formula C13H10IN3O and a molecular weight of 351.15 g/mol. Its IUPAC name is 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one
PubChem CID138687318
Molecular FormulaC13H10IN3O
Molecular Weight351.15 g/mol
Exact Mass350.99
IUPAC Name5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1ccc(Cn2ncc3cc(I)ccc32)c[nH]1
InChIInChI=1S/C13H10IN3O/c14-11-2-3-12-10(5-11)7-16-17(12)8-9-1-4-13(18)15-6-9/h1-7H,8H2,(H,15,18)
InChIKeyQYUMFHAVVIESIY-UHFFFAOYSA-N
XLogP2.38
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-5-iodoindazole
CID 175216814
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
1-[(3,5-difluorophenyl)methyl]-6-iodoindazole
CID 105411272
2-(1-benzylindazol-5-yl)-7-iodoquinazolin-4-amine
CID 57038816
5-(iodomethyl)-1H-pyridin-2-one
CID 126675889
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
CID 169188030
2-[(4-chlorophenyl)methyl]-5-iodopyridazin-3-one
CID 114553418
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole
CID 68619624
1-(3,3-dimethylbutyl)-6-iodoindazole
CID 79785410
4-(4-iodophenyl)-3-[(5-nitroindazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 139214183

Frequently Asked Questions

What is the IUPAC name of 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one (CID 138687318) is 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one is O=c1ccc(Cn2ncc3cc(I)ccc32)c[nH]1.
What is the InChIKey of 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is QYUMFHAVVIESIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10IN3O/c14-11-2-3-12-10(5-11)7-16-17(12)8-9-1-4-13(18)15-6-9/h1-7H,8H2,(H,15,18).
What are the key properties of 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one?
5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 351.15 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-iodoindazol-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138687318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).