5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one

C15H14IN3O — CID 79784917

IUPAC5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one
SMILESCc1cc(=O)n(Cc2nn(C)c3ccccc23)cc1I
InChIInChI=1S/C15H14IN3O/c1-10-7-15(20)19(8-12(10)16)9-13-11-5-3-4-6-14(11)18(2)17-13/h3-8H,9H2,1-2H3
InChIKeyVTMQUZCUROAYMS-UHFFFAOYSA-N
MW379.20 g/mol
LogP2.70
Rot. Bonds2

About 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one

5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one (PubChem CID 79784917) has the molecular formula C15H14IN3O and a molecular weight of 379.20 g/mol. Its IUPAC name is 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one
PubChem CID79784917
Molecular FormulaC15H14IN3O
Molecular Weight379.20 g/mol
Exact Mass379.02
IUPAC Name5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one
SMILESCc1cc(=O)n(Cc2nn(C)c3ccccc23)cc1I
InChIInChI=1S/C15H14IN3O/c1-10-7-15(20)19(8-12(10)16)9-13-11-5-3-4-6-14(11)18(2)17-13/h3-8H,9H2,1-2H3
InChIKeyVTMQUZCUROAYMS-UHFFFAOYSA-N
XLogP2.70
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one?
The IUPAC name of 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one (CID 79784917) is 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one is Cc1cc(=O)n(Cc2nn(C)c3ccccc23)cc1I.
What is the InChIKey of 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one?
The InChIKey is VTMQUZCUROAYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O/c1-10-7-15(20)19(8-12(10)16)9-13-11-5-3-4-6-14(11)18(2)17-13/h3-8H,9H2,1-2H3.
What are the key properties of 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one?
5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one has a molecular weight of 379.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-1-[(1-methylindazol-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 79784917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).