3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine

C7H8F2IN3 — CID 119017545

IUPAC3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine
SMILESNCc1cc(I)c(C(F)F)nc1N
InChIInChI=1S/C7H8F2IN3/c8-6(9)5-4(10)1-3(2-11)7(12)13-5/h1,6H,2,11H2,(H2,12,13)
InChIKeyUXDUQXPUNNXBOV-UHFFFAOYSA-N
MW299.06 g/mol
LogP1.66
Rot. Bonds2

About 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine

3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine (PubChem CID 119017545) has the molecular formula C7H8F2IN3 and a molecular weight of 299.06 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine
PubChem CID119017545
Molecular FormulaC7H8F2IN3
Molecular Weight299.06 g/mol
Exact Mass298.97
IUPAC Name3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine
SMILESNCc1cc(I)c(C(F)F)nc1N
InChIInChI=1S/C7H8F2IN3/c8-6(9)5-4(10)1-3(2-11)7(12)13-5/h1,6H,2,11H2,(H2,12,13)
InChIKeyUXDUQXPUNNXBOV-UHFFFAOYSA-N
XLogP1.66
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.06
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine 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

[2-amino-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118993177
3-(aminomethyl)-6-(difluoromethyl)pyridine-2,5-diamine
CID 130098680
[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
CID 130100564
5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine
CID 130098671
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119005302
6-(difluoromethyl)-2,5-diiodopyridin-3-amine
CID 130100401
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118831357
ethyl 2-[6-amino-5-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134664484
[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820073
[2-chloro-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118990772
3-(bromomethyl)-2-chloro-6-(difluoromethyl)-5-iodopyridine
CID 130073132
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine (CID 119017545) is 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine is NCc1cc(I)c(C(F)F)nc1N.
What is the InChIKey of 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine?
The InChIKey is UXDUQXPUNNXBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2IN3/c8-6(9)5-4(10)1-3(2-11)7(12)13-5/h1,6H,2,11H2,(H2,12,13).
What are the key properties of 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine?
3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine has a molecular weight of 299.06 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine is sourced from PubChem (CID 119017545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).