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

C8H8F3IN2O — CID 130112723

IUPAC[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESCc1c(OC(F)(F)F)ncc(I)c1CN
InChIInChI=1S/C8H8F3IN2O/c1-4-5(2-13)6(12)3-14-7(4)15-8(9,10)11/h3H,2,13H2,1H3
InChIKeyKANNKLPEMBHQSP-UHFFFAOYSA-N
MW332.06 g/mol
LogP2.35
Rot. Bonds2

About [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine

[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 130112723) has the molecular formula C8H8F3IN2O and a molecular weight of 332.06 g/mol. Its IUPAC name is [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID130112723
Molecular FormulaC8H8F3IN2O
Molecular Weight332.06 g/mol
Exact Mass331.96
IUPAC Name[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESCc1c(OC(F)(F)F)ncc(I)c1CN
InChIInChI=1S/C8H8F3IN2O/c1-4-5(2-13)6(12)3-14-7(4)15-8(9,10)11/h3H,2,13H2,1H3
InChIKeyKANNKLPEMBHQSP-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'}

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Related Compounds

[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
2-[4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118824185
5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134666162
4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
CID 118840248
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134660996
5-iodo-3-methyl-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 130113000
ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134667648
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095491
4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
CID 131059755
ethyl 2-[5-iodo-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134660254

Frequently Asked Questions

What is the IUPAC name of [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 130112723) is [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine is Cc1c(OC(F)(F)F)ncc(I)c1CN.
What is the InChIKey of [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is KANNKLPEMBHQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2O/c1-4-5(2-13)6(12)3-14-7(4)15-8(9,10)11/h3H,2,13H2,1H3.
What are the key properties of [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine?
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-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 [5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 130112723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).