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

C7H7F3IN3O — CID 118993609

IUPAC3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1c(N)ncc(I)c1OC(F)(F)F
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)15-5-3(1-12)6(13)14-2-4(5)11/h2H,1,12H2,(H2,13,14)
InChIKeyDSHBHKNCFQYEEU-UHFFFAOYSA-N
MW333.05 g/mol
LogP1.63
Rot. Bonds2

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

3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine (PubChem CID 118993609) has the molecular formula C7H7F3IN3O and a molecular weight of 333.05 g/mol. Its IUPAC name is 3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
PubChem CID118993609
Molecular FormulaC7H7F3IN3O
Molecular Weight333.05 g/mol
Exact Mass332.96
IUPAC Name3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
SMILESNCc1c(N)ncc(I)c1OC(F)(F)F
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)15-5-3(1-12)6(13)14-2-4(5)11/h2H,1,12H2,(H2,13,14)
InChIKeyDSHBHKNCFQYEEU-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

3-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-amine
CID 119005601
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
ethyl 2-[3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134666934
2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990941
2-[6-amino-4-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118999485
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
[3-(bromomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130113156
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
4-(aminomethyl)-3-chloro-5-(trifluoromethoxy)pyridin-2-amine
CID 119001282

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine (CID 118993609) is 3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine is NCc1c(N)ncc(I)c1OC(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is DSHBHKNCFQYEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3IN3O/c8-7(9,10)15-5-3(1-12)6(13)14-2-4(5)11/h2H,1,12H2,(H2,13,14).
What are the key properties of 3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine?
3-(aminomethyl)-5-iodo-4-(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 3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 118993609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).