2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one

C7H6F2INO — CID 118820624

IUPAC2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C7H6F2INO/c1-3-2-4(12)5(10)6(11-3)7(8)9/h2,7H,1H3,(H,11,12)
InChIKeyZANSMJBXHHFCGK-UHFFFAOYSA-N
MW285.03 g/mol
LogP2.23
Rot. Bonds1

About 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one

2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one (PubChem CID 118820624) has the molecular formula C7H6F2INO and a molecular weight of 285.03 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one
PubChem CID118820624
Molecular FormulaC7H6F2INO
Molecular Weight285.03 g/mol
Exact Mass284.95
IUPAC Name2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(I)c(C(F)F)[nH]1
InChIInChI=1S/C7H6F2INO/c1-3-2-4(12)5(10)6(11-3)7(8)9/h2,7H,1H3,(H,11,12)
InChIKeyZANSMJBXHHFCGK-UHFFFAOYSA-N
XLogP2.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.03
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-4-Amino-1,1,1-trifluoropent-3-en-2-one
CID 12586193
4-Amino-1,1,1-trifluoro-3-penten-2-one
CID 57366078
4-Amino-1,1-difluoro-3-penten-2-one
CID 76223783
2-(1,1-difluoroethyl)-6-methyl-1H-pyridin-4-one
CID 176296438
4-Amino-1,1,1-trifluoro-pent-3-en-2-one
CID 12586191
3-Fluoro-2,6-dimethylpyridin-4-ol
CID 24971814
(E)-4-amino-5,5-difluoropent-3-en-2-one
CID 45085463
2-Fluoro-6-methylpyridin-4-ol
CID 53485196
(Z)-4-amino-1,1-difluoropent-3-en-2-one
CID 55285279
(Z)-4-amino-5,5-difluoropent-3-en-2-one
CID 55289764
3-Iodo-2,6-bis-trifluoromethyl-pyridin-4-ol
CID 75530171
4-Amino-5,5-difluoropent-3-en-2-one
CID 76224460

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one (CID 118820624) is 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one is Cc1cc(=O)c(I)c(C(F)F)[nH]1.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one?
The InChIKey is ZANSMJBXHHFCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2INO/c1-3-2-4(12)5(10)6(11-3)7(8)9/h2,7H,1H3,(H,11,12).
What are the key properties of 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one?
2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one has a molecular weight of 285.03 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-iodo-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 118820624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).