[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine

C8H8F3IN2O — CID 130112708

IUPAC[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1c(OC(F)(F)F)ncc(CN)c1I
InChIInChI=1S/C8H8F3IN2O/c1-4-6(12)5(2-13)3-14-7(4)15-8(9,10)11/h3H,2,13H2,1H3
InChIKeyBFZZYNARMFBWIT-UHFFFAOYSA-N
MW332.06 g/mol
LogP2.35
Rot. Bonds2

About [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine

[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 130112708) has the molecular formula C8H8F3IN2O and a molecular weight of 332.06 g/mol. Its IUPAC name is [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID130112708
Molecular FormulaC8H8F3IN2O
Molecular Weight332.06 g/mol
Exact Mass331.96
IUPAC Name[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1c(OC(F)(F)F)ncc(CN)c1I
InChIInChI=1S/C8H8F3IN2O/c1-4-6(12)5(2-13)3-14-7(4)15-8(9,10)11/h3H,2,13H2,1H3
InChIKeyBFZZYNARMFBWIT-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

[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
2-[4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118824185
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707
2-[5-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134663767
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
5-iodo-3-methyl-2-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134666162
4-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
CID 118840248
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
[3,6-dimethyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131527479
[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134664983

Frequently Asked Questions

What is the IUPAC name of [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 130112708) is [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine is Cc1c(OC(F)(F)F)ncc(CN)c1I.
What is the InChIKey of [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is BFZZYNARMFBWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2O/c1-4-6(12)5(2-13)3-14-7(4)15-8(9,10)11/h3H,2,13H2,1H3.
What are the key properties of [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine?
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-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 [4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130112708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).