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

C8H8F3IN2O — CID 118820077

IUPAC[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCc1cc(OC(F)(F)F)c(I)c(CN)n1
InChIInChI=1S/C8H8F3IN2O/c1-4-2-6(15-8(9,10)11)7(12)5(3-13)14-4/h2H,3,13H2,1H3
InChIKeyPWQZNEZVSPJCPX-UHFFFAOYSA-N
MW332.06 g/mol
LogP2.35
Rot. Bonds2

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

[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 118820077) has the molecular formula C8H8F3IN2O and a molecular weight of 332.06 g/mol. Its IUPAC name is [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID118820077
Molecular FormulaC8H8F3IN2O
Molecular Weight332.06 g/mol
Exact Mass331.96
IUPAC Name[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCc1cc(OC(F)(F)F)c(I)c(CN)n1
InChIInChI=1S/C8H8F3IN2O/c1-4-2-6(15-8(9,10)11)7(12)5(3-13)14-4/h2H,3,13H2,1H3
InChIKeyPWQZNEZVSPJCPX-UHFFFAOYSA-N
XLogP2.35
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.06
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023621
ethyl 2-[6-amino-2-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086121
ethyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085618
methyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085558
methyl 2-[6-amino-2-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086081
2-[2-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134661419
[3-methyl-6-nitro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118802984
[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131527479
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine
CID 130112544
2-[6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118836988
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898

Frequently Asked Questions

What is the IUPAC name of [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 118820077) is [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine is Cc1cc(OC(F)(F)F)c(I)c(CN)n1.
What is the InChIKey of [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is PWQZNEZVSPJCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2O/c1-4-2-6(15-8(9,10)11)7(12)5(3-13)14-4/h2H,3,13H2,1H3.
What are the key properties of [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine?
[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 332.06 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 118820077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).