4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one

C7H6F3IN2O2 — CID 118806796

IUPAC4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(I)c1OC(F)(F)F
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)15-5-3(2-12)1-4(14)13-6(5)11/h1H,2,12H2,(H,13,14)
InChIKeyMXYZGCPWAVRDTH-UHFFFAOYSA-N
MW334.04 g/mol
LogP1.34
Rot. Bonds2

About 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one

4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118806796) has the molecular formula C7H6F3IN2O2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118806796
Molecular FormulaC7H6F3IN2O2
Molecular Weight334.04 g/mol
Exact Mass333.94
IUPAC Name4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]c(I)c1OC(F)(F)F
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)15-5-3(2-12)1-4(14)13-6(5)11/h1H,2,12H2,(H,13,14)
InChIKeyMXYZGCPWAVRDTH-UHFFFAOYSA-N
XLogP1.34
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-6-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118834977
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 134666814
4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
CID 118811740
6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118848207
5-iodo-4-methoxy-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111016
[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571679
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
2-[2-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-4-yl]acetic acid
CID 118821173
3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 134664492
5-(aminomethyl)-6-hydroxy-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 131614035
2-[4-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetic acid
CID 134664501
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 118806796) is 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one is NCc1cc(=O)[nH]c(I)c1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is MXYZGCPWAVRDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2O2/c8-7(9,10)15-5-3(2-12)1-4(14)13-6(5)11/h1H,2,12H2,(H,13,14).
What are the key properties of 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one?
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 334.04 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118806796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).