4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine

C7H7F3IN3O — CID 131612340

IUPAC4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1c(OC(F)(F)F)cnc(I)c1N
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)15-4-2-14-6(11)5(13)3(4)1-12/h2H,1,12-13H2
InChIKeyBXPYSMYVPUAUSU-UHFFFAOYSA-N
MW333.05 g/mol
LogP1.63
Rot. Bonds2

About 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine

4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine (PubChem CID 131612340) has the molecular formula C7H7F3IN3O and a molecular weight of 333.05 g/mol. Its IUPAC name is 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
PubChem CID131612340
Molecular FormulaC7H7F3IN3O
Molecular Weight333.05 g/mol
Exact Mass332.96
IUPAC Name4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
SMILESNCc1c(OC(F)(F)F)cnc(I)c1N
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)15-4-2-14-6(11)5(13)3(4)1-12/h2H,1,12-13H2
InChIKeyBXPYSMYVPUAUSU-UHFFFAOYSA-N
XLogP1.63
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 130971510
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282
[2-iodo-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130092403
[3-bromo-2-fluoro-5-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571676
[2-methyl-5-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118835408
[2,4-dibromo-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130093650
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134668401
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134666863
5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661449
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine?
The IUPAC name of 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine (CID 131612340) is 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine?
The canonical SMILES for 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine is NCc1c(OC(F)(F)F)cnc(I)c1N.
What is the InChIKey of 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine?
The InChIKey is BXPYSMYVPUAUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3IN3O/c8-7(9,10)15-4-2-14-6(11)5(13)3(4)1-12/h2H,1,12-13H2.
What are the key properties of 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine?
4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine has a molecular weight of 333.05 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine is sourced from PubChem (CID 131612340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).