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

C8H8F3IN2O — CID 130112707

IUPAC[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1cnc(OC(F)(F)F)c(CN)c1I
InChIInChI=1S/C8H8F3IN2O/c1-4-3-14-7(15-8(9,10)11)5(2-13)6(4)12/h3H,2,13H2,1H3
InChIKeyZMNKFMJKKNHMMC-UHFFFAOYSA-N
MW332.06 g/mol
LogP2.35
Rot. Bonds2

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

[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine (PubChem CID 130112707) has the molecular formula C8H8F3IN2O and a molecular weight of 332.06 g/mol. Its IUPAC name is [4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
PubChem CID130112707
Molecular FormulaC8H8F3IN2O
Molecular Weight332.06 g/mol
Exact Mass331.96
IUPAC Name[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
SMILESCc1cnc(OC(F)(F)F)c(CN)c1I
InChIInChI=1S/C8H8F3IN2O/c1-4-3-14-7(15-8(9,10)11)5(2-13)6(4)12/h3H,2,13H2,1H3
InChIKeyZMNKFMJKKNHMMC-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-(fluoromethyl)-3-iodo-5-methyl-2-(trifluoromethoxy)pyridine
CID 118840248
[5-iodo-3-methyl-2-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130112723
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134660996
ethyl 5-(aminomethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134667648
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708
2-[4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118824185
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
2-[5-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134663767
3-(aminomethyl)-5-hydroxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134666990
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619
4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
CID 133085758
2-[4-iodo-5-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680637

Frequently Asked Questions

What is the IUPAC name of [4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine (CID 130112707) is [4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine is Cc1cnc(OC(F)(F)F)c(CN)c1I.
What is the InChIKey of [4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
The InChIKey is ZMNKFMJKKNHMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3IN2O/c1-4-3-14-7(15-8(9,10)11)5(2-13)6(4)12/h3H,2,13H2,1H3.
What are the key properties of [4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine?
[4-iodo-5-methyl-2-(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-2-(trifluoromethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 130112707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).