[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine

C7H5BrF3IN2O — CID 118825745

IUPAC[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(I)cc(Br)c1OC(F)(F)F
InChIInChI=1S/C7H5BrF3IN2O/c8-3-1-5(12)14-4(2-13)6(3)15-7(9,10)11/h1H,2,13H2
InChIKeyNOJMBRFUYZJUCR-UHFFFAOYSA-N
MW396.93 g/mol
LogP2.81
Rot. Bonds2

About [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine

[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118825745) has the molecular formula C7H5BrF3IN2O and a molecular weight of 396.93 g/mol. Its IUPAC name is [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118825745
Molecular FormulaC7H5BrF3IN2O
Molecular Weight396.93 g/mol
Exact Mass395.86
IUPAC Name[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESNCc1nc(I)cc(Br)c1OC(F)(F)F
InChIInChI=1S/C7H5BrF3IN2O/c8-3-1-5(12)14-4(2-13)6(3)15-7(9,10)11/h1H,2,13H2
InChIKeyNOJMBRFUYZJUCR-UHFFFAOYSA-N
XLogP2.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.93
LogP ≤ 52.81
H-Bond Donors ≤ 51
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

6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118814478
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 134666814
ethyl 2-[4-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681233
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131411382
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521300
4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118822750
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)aniline
CID 131397954
2-bromo-6-iodo-4-methyl-3-(trifluoromethoxy)pyridine
CID 119006523
[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130092413
2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)pyridin-4-amine
CID 118824129
2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118823621
2-(bromomethyl)-6-iodo-3-methoxy-4-(trifluoromethoxy)pyridine
CID 118826924

Frequently Asked Questions

What is the IUPAC name of [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118825745) is [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine is NCc1nc(I)cc(Br)c1OC(F)(F)F.
What is the InChIKey of [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is NOJMBRFUYZJUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3IN2O/c8-3-1-5(12)14-4(2-13)6(3)15-7(9,10)11/h1H,2,13H2.
What are the key properties of [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine?
[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 396.93 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118825745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).