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

C8H6F5IN2 — CID 130086829

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

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

[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 130086829) has the molecular formula C8H6F5IN2 and a molecular weight of 352.04 g/mol. Its IUPAC name is [6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID130086829
Molecular FormulaC8H6F5IN2
Molecular Weight352.04 g/mol
Exact Mass351.95
IUPAC Name[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)nc(C(F)(F)F)c1I
InChIInChI=1S/C8H6F5IN2/c9-7(10)4-1-3(2-15)5(14)6(16-4)8(11,12)13/h1,7H,2,15H2
InChIKeyPSKVQIPTRCAEJP-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-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130087399
4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 118824321
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
CID 118852482
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133084760
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081572
[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
CID 118817999
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118835601
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
methyl 6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133100965
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine (CID 130086829) is [6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1cc(C(F)F)nc(C(F)(F)F)c1I.
What is the InChIKey of [6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is PSKVQIPTRCAEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5IN2/c9-7(10)4-1-3(2-15)5(14)6(16-4)8(11,12)13/h1,7H,2,15H2.
What are the key properties of [6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine?
[6-(difluoromethyl)-3-iodo-2-(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 [6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 130086829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).