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

C8H6F5IN2 — CID 130086828

IUPAC[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(C(F)(F)F)nc(C(F)F)c1I
InChIInChI=1S/C8H6F5IN2/c9-7(10)6-5(14)3(2-15)1-4(16-6)8(11,12)13/h1,7H,2,15H2
InChIKeySFYUMJJCEHKQDP-UHFFFAOYSA-N
MW352.04 g/mol
LogP3.10
Rot. Bonds2

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

[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 130086828) has the molecular formula C8H6F5IN2 and a molecular weight of 352.04 g/mol. Its IUPAC name is [2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID130086828
Molecular FormulaC8H6F5IN2
Molecular Weight352.04 g/mol
Exact Mass351.95
IUPAC Name[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(C(F)(F)F)nc(C(F)F)c1I
InChIInChI=1S/C8H6F5IN2/c9-7(10)6-5(14)3(2-15)1-4(16-6)8(11,12)13/h1,7H,2,15H2
InChIKeySFYUMJJCEHKQDP-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.04
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118852322
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
2-(difluoromethyl)-4-iodo-6-(trifluoromethyl)pyridin-3-amine
CID 130105387
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
4-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130077308
2-(difluoromethyl)-4-iodo-6-(trifluoromethyl)pyridin-3-ol
CID 118831592
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118820470
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118801682
2-(difluoromethyl)-4-iodo-3-methoxy-6-(trifluoromethyl)pyridine
CID 118809295
[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
CID 130100564

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine (CID 130086828) is [2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1cc(C(F)(F)F)nc(C(F)F)c1I.
What is the InChIKey of [2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is SFYUMJJCEHKQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5IN2/c9-7(10)6-5(14)3(2-15)1-4(16-6)8(11,12)13/h1,7H,2,15H2.
What are the key properties of [2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 352.04 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 130086828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).