6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one

C7H6FN3O — CID 134574048

IUPAC6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one
SMILESCn1cnc2c(=O)[nH]c(F)cc21
InChIInChI=1S/C7H6FN3O/c1-11-3-9-6-4(11)2-5(8)10-7(6)12/h2-3H,1H3,(H,10,12)
InChIKeyGDDDRQOAVVLNHU-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.40
Rot. Bonds

About 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one

6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 134574048) has the molecular formula C7H6FN3O and a molecular weight of 167.14 g/mol. Its IUPAC name is 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID134574048
Molecular FormulaC7H6FN3O
Molecular Weight167.14 g/mol
Exact Mass167.05
IUPAC Name6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one
SMILESCn1cnc2c(=O)[nH]c(F)cc21
InChIInChI=1S/C7H6FN3O/c1-11-3-9-6-4(11)2-5(8)10-7(6)12/h2-3H,1H3,(H,10,12)
InChIKeyGDDDRQOAVVLNHU-UHFFFAOYSA-N
XLogP0.40
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one (CID 134574048) is 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one is Cn1cnc2c(=O)[nH]c(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is GDDDRQOAVVLNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O/c1-11-3-9-6-4(11)2-5(8)10-7(6)12/h2-3H,1H3,(H,10,12).
What are the key properties of 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one?
6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 167.14 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 134574048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).