4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine

C7H7F3IN3O — CID 119006806

IUPAC4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1cc(OC(F)(F)F)nc(N)c1I
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)15-4-1-3(2-12)5(11)6(13)14-4/h1H,2,12H2,(H2,13,14)
InChIKeyADMZPOCIQHOSMZ-UHFFFAOYSA-N
MW333.05 g/mol
LogP1.63
Rot. Bonds2

About 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine

4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine (PubChem CID 119006806) has the molecular formula C7H7F3IN3O and a molecular weight of 333.05 g/mol. Its IUPAC name is 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
PubChem CID119006806
Molecular FormulaC7H7F3IN3O
Molecular Weight333.05 g/mol
Exact Mass332.96
IUPAC Name4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1cc(OC(F)(F)F)nc(N)c1I
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)15-4-1-3(2-12)5(11)6(13)14-4/h1H,2,12H2,(H2,13,14)
InChIKeyADMZPOCIQHOSMZ-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 119009677
[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130092413
[2,3-dibromo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130093645
ethyl 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134676389
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
[3-bromo-2-chloro-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807331
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
3-(aminomethyl)-4-chloro-6-(trifluoromethoxy)pyridin-2-amine
CID 119016292
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134670747

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine (CID 119006806) is 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine is NCc1cc(OC(F)(F)F)nc(N)c1I.
What is the InChIKey of 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is ADMZPOCIQHOSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3IN3O/c8-7(9,10)15-4-1-3(2-12)5(11)6(13)14-4/h1H,2,12H2,(H2,13,14).
What are the key properties of 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine?
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-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)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 119006806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).