3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one

C10H10IN3O — CID 82882780

IUPAC3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
SMILESCn1ccc(Cn2cccc(I)c2=O)n1
InChIInChI=1S/C10H10IN3O/c1-13-6-4-8(12-13)7-14-5-2-3-9(11)10(14)15/h2-6H,7H2,1H3
InChIKeySVPMGKBOHBCEIH-UHFFFAOYSA-N
MW315.11 g/mol
LogP1.23
Rot. Bonds2

About 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one

3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one (PubChem CID 82882780) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
PubChem CID82882780
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
SMILESCn1ccc(Cn2cccc(I)c2=O)n1
InChIInChI=1S/C10H10IN3O/c1-13-6-4-8(12-13)7-14-5-2-3-9(11)10(14)15/h2-6H,7H2,1H3
InChIKeySVPMGKBOHBCEIH-UHFFFAOYSA-N
XLogP1.23
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 114761326
3-iodo-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyridin-2-one
CID 79784713
5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 82882692
5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82876264
1-butyl-3-iodopyridin-2-one
CID 79785091
5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82875940
3-iodo-1-pentylpyridin-2-one
CID 79785003
ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
1-methyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 82872029
1-[(2-chlorophenyl)methyl]-3-iodopyridin-2-one
CID 79785092
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-iodopyrimidin-4-one
CID 66308642
5-iodo-2-[(1-methylpyrazol-3-yl)methyl]isoindole-1,3-dione
CID 82882239

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one (CID 82882780) is 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one is Cn1ccc(Cn2cccc(I)c2=O)n1.
What is the InChIKey of 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one?
The InChIKey is SVPMGKBOHBCEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c1-13-6-4-8(12-13)7-14-5-2-3-9(11)10(14)15/h2-6H,7H2,1H3.
What are the key properties of 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one?
3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one has a molecular weight of 315.11 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 82882780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).