6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one

C7H7F2IN2O — CID 118847990

IUPAC6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(I)cc1C(F)F
InChIInChI=1S/C7H7F2IN2O/c8-6(9)3-1-4(10)7(13)12-5(3)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyWHDIAQVYIIKSNA-UHFFFAOYSA-N
MW300.05 g/mol
LogP1.38
Rot. Bonds2

About 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one

6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one (PubChem CID 118847990) has the molecular formula C7H7F2IN2O and a molecular weight of 300.05 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
PubChem CID118847990
Molecular FormulaC7H7F2IN2O
Molecular Weight300.05 g/mol
Exact Mass299.96
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
SMILESNCc1[nH]c(=O)c(I)cc1C(F)F
InChIInChI=1S/C7H7F2IN2O/c8-6(9)3-1-4(10)7(13)12-5(3)2-11/h1,6H,2,11H2,(H,12,13)
InChIKeyWHDIAQVYIIKSNA-UHFFFAOYSA-N
XLogP1.38
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.05
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-5-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 118802906
6-(aminomethyl)-4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
CID 118808535
5-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082597
6-(bromomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-2-one
CID 130079410
3-amino-6-(chloromethyl)-5-(difluoromethyl)-1H-pyridin-2-one
CID 130104754
6-(aminomethyl)-3-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082578
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770
2-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 118842576
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
5-(aminomethyl)-6-bromo-3-(difluoromethyl)-1H-pyridin-2-one
CID 130110164
6-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118837355
4-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082602

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one (CID 118847990) is 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one is NCc1[nH]c(=O)c(I)cc1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
The InChIKey is WHDIAQVYIIKSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IN2O/c8-6(9)3-1-4(10)7(13)12-5(3)2-11/h1,6H,2,11H2,(H,12,13).
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one?
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one has a molecular weight of 300.05 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one is sourced from PubChem (CID 118847990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).