[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H5F3IN3O3 — CID 134667507

IUPAC[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(I)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C7H5F3IN3O3/c8-7(9,10)17-6-5(14(15)16)4(11)1-3(2-12)13-6/h1H,2,12H2
InChIKeyIRQJIADHRBHRKG-UHFFFAOYSA-N
MW363.03 g/mol
LogP1.95
Rot. Bonds3

About [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine

[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 134667507) has the molecular formula C7H5F3IN3O3 and a molecular weight of 363.03 g/mol. Its IUPAC name is [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID134667507
Molecular FormulaC7H5F3IN3O3
Molecular Weight363.03 g/mol
Exact Mass362.93
IUPAC Name[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1cc(I)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C7H5F3IN3O3/c8-7(9,10)17-6-5(14(15)16)4(11)1-3(2-12)13-6/h1H,2,12H2
InChIKeyIRQJIADHRBHRKG-UHFFFAOYSA-N
XLogP1.95
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.03
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine 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

ethyl 4-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666796
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666889
2-[6-(aminomethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666816
2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118804931
6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
CID 134670317
5-iodo-4-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134666993
5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
[5-iodo-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134676231
6-(chloromethyl)-2-iodo-3-nitro-4-(trifluoromethoxy)pyridine
CID 134681052
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-sulfonamide
CID 134669008
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677

Frequently Asked Questions

What is the IUPAC name of [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 134667507) is [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1cc(I)c([N+](=O)[O-])c(OC(F)(F)F)n1.
What is the InChIKey of [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is IRQJIADHRBHRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN3O3/c8-7(9,10)17-6-5(14(15)16)4(11)1-3(2-12)13-6/h1H,2,12H2.
What are the key properties of [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine?
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 363.03 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 134667507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).