[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine

C7H5F3IN3O3 — CID 134666889

IUPAC[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cc([N+](=O)[O-])c(OC(F)(F)F)nc1I
InChIInChI=1S/C7H5F3IN3O3/c8-7(9,10)17-6-4(14(15)16)1-3(2-12)5(11)13-6/h1H,2,12H2
InChIKeyYPVYANPWFHMEAE-UHFFFAOYSA-N
MW363.03 g/mol
LogP1.95
Rot. Bonds3

About [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine

[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 134666889) has the molecular formula C7H5F3IN3O3 and a molecular weight of 363.03 g/mol. Its IUPAC name is [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID134666889
Molecular FormulaC7H5F3IN3O3
Molecular Weight363.03 g/mol
Exact Mass362.93
IUPAC Name[2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESNCc1cc([N+](=O)[O-])c(OC(F)(F)F)nc1I
InChIInChI=1S/C7H5F3IN3O3/c8-7(9,10)17-6-4(14(15)16)1-3(2-12)5(11)13-6/h1H,2,12H2
InChIKeyYPVYANPWFHMEAE-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-iodo-5-nitro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679777
3-iodo-2-methyl-5-nitro-6-(trifluoromethoxy)pyridine
CID 130112677
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134667507
3-iodo-5-nitro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134679774
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898
5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
[5-methyl-6-nitro-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134678733
2-[2-methoxy-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134666404
2-methoxy-5-nitro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134664936
2-(bromomethyl)-6-iodo-3-nitro-5-(trifluoromethoxy)pyridine
CID 134660726
ethyl 2-[6-iodo-4-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664758
[4-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 133085678

Frequently Asked Questions

What is the IUPAC name of [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 134666889) is [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine is NCc1cc([N+](=O)[O-])c(OC(F)(F)F)nc1I.
What is the InChIKey of [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is YPVYANPWFHMEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN3O3/c8-7(9,10)17-6-4(14(15)16)1-3(2-12)5(11)13-6/h1H,2,12H2.
What are the key properties of [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
[2-iodo-5-nitro-6-(trifluoromethoxy)-3-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 [2-iodo-5-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 134666889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).