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

C8H5F6IN2O — CID 134666814

IUPAC[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(I)nc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H5F6IN2O/c9-7(10,11)6-5(18-8(12,13)14)3(2-16)1-4(15)17-6/h1H,2,16H2
InChIKeyBBFIZGZGFCRWBC-UHFFFAOYSA-N
MW386.03 g/mol
LogP3.06
Rot. Bonds2

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

[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 134666814) has the molecular formula C8H5F6IN2O and a molecular weight of 386.03 g/mol. Its IUPAC name is [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID134666814
Molecular FormulaC8H5F6IN2O
Molecular Weight386.03 g/mol
Exact Mass385.94
IUPAC Name[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(I)nc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H5F6IN2O/c9-7(10,11)6-5(18-8(12,13)14)3(2-16)1-4(15)17-6/h1H,2,16H2
InChIKeyBBFIZGZGFCRWBC-UHFFFAOYSA-N
XLogP3.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.03
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134677424
2-[4-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134682200
ethyl 2-[4-(aminomethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681233
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
[4-bromo-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825745
2-[4-iodo-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850021
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonamide
CID 118807327
4-(aminomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 134682381
4-(aminomethyl)-6-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119018318
[6-bromo-2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 131571679

Frequently Asked Questions

What is the IUPAC name of [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine (CID 134666814) is [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1cc(I)nc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is BBFIZGZGFCRWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6IN2O/c9-7(10,11)6-5(18-8(12,13)14)3(2-16)1-4(15)17-6/h1H,2,16H2.
What are the key properties of [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine?
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 386.03 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 134666814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).