3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one

C7H7F2IN2O — CID 130082587

IUPAC3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
SMILESNCc1c(C(F)F)c(I)c[nH]c1=O
InChIInChI=1S/C7H7F2IN2O/c8-6(9)5-3(1-11)7(13)12-2-4(5)10/h2,6H,1,11H2,(H,12,13)
InChIKeyVIWIFUWAYOFLRQ-UHFFFAOYSA-N
MW300.05 g/mol
LogP1.38
Rot. Bonds2

About 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one

3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one (PubChem CID 130082587) has the molecular formula C7H7F2IN2O and a molecular weight of 300.05 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
PubChem CID130082587
Molecular FormulaC7H7F2IN2O
Molecular Weight300.05 g/mol
Exact Mass299.96
IUPAC Name3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one
SMILESNCc1c(C(F)F)c(I)c[nH]c1=O
InChIInChI=1S/C7H7F2IN2O/c8-6(9)5-3(1-11)7(13)12-2-4(5)10/h2,6H,1,11H2,(H,12,13)
InChIKeyVIWIFUWAYOFLRQ-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

3-(aminomethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 130084595
5-(aminomethyl)-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082592
4-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-sulfonamide
CID 118851891
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387
4-(aminomethyl)-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 130084648
2-[5-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 133093439
4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118812570
3-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-4-carbaldehyde
CID 130082829
4-(bromomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082661
6-(aminomethyl)-3-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082578
4-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130084651

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one (CID 130082587) is 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one is NCc1c(C(F)F)c(I)c[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
The InChIKey is VIWIFUWAYOFLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IN2O/c8-6(9)5-3(1-11)7(13)12-2-4(5)10/h2,6H,1,11H2,(H,12,13).
What are the key properties of 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one?
3-(aminomethyl)-4-(difluoromethyl)-5-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 3-(aminomethyl)-4-(difluoromethyl)-5-iodo-1H-pyridin-2-one is sourced from PubChem (CID 130082587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).