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

C7H7F2IN2O — CID 118819770

IUPAC2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
SMILESNCc1[nH]c(I)cc(=O)c1C(F)F
InChIInChI=1S/C7H7F2IN2O/c8-7(9)6-3(2-11)12-5(10)1-4(6)13/h1,7H,2,11H2,(H,12,13)
InChIKeySFZWKAMRHHEDID-UHFFFAOYSA-N
MW300.05 g/mol
LogP1.38
Rot. Bonds2

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

2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one (PubChem CID 118819770) has the molecular formula C7H7F2IN2O and a molecular weight of 300.05 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
PubChem CID118819770
Molecular FormulaC7H7F2IN2O
Molecular Weight300.05 g/mol
Exact Mass299.96
IUPAC Name2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
SMILESNCc1[nH]c(I)cc(=O)c1C(F)F
InChIInChI=1S/C7H7F2IN2O/c8-7(9)6-3(2-11)12-5(10)1-4(6)13/h1,7H,2,11H2,(H,12,13)
InChIKeySFZWKAMRHHEDID-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 130082602
3-(difluoromethyl)-6-iodo-2-methoxy-1H-pyridin-4-one
CID 130082494
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 118853573
6-(aminomethyl)-5-(difluoromethyl)-4-(hydroxymethyl)-1H-pyridin-2-one
CID 118808520
2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one
CID 118803464
6-(aminomethyl)-3-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130082578
6-(aminomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 118847990
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
2-(aminomethyl)-3-(difluoromethyl)-5-nitro-1H-pyridin-4-one
CID 118803016
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-2-one
CID 118835502
2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide
CID 118826057
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one (CID 118819770) is 2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one is NCc1[nH]c(I)cc(=O)c1C(F)F.
What is the InChIKey of 2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one?
The InChIKey is SFZWKAMRHHEDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IN2O/c8-7(9)6-3(2-11)12-5(10)1-4(6)13/h1,7H,2,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one?
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-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 2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one is sourced from PubChem (CID 118819770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).