[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine

C8H6F5IN2 — CID 130086810

IUPAC[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1c(C(F)F)ncc(C(F)(F)F)c1I
InChIInChI=1S/C8H6F5IN2/c9-7(10)6-3(1-15)5(14)4(2-16-6)8(11,12)13/h2,7H,1,15H2
InChIKeyZWZLZZNIGSSNGU-UHFFFAOYSA-N
MW352.04 g/mol
LogP3.10
Rot. Bonds2

About [2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 130086810) has the molecular formula C8H6F5IN2 and a molecular weight of 352.04 g/mol. Its IUPAC name is [2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID130086810
Molecular FormulaC8H6F5IN2
Molecular Weight352.04 g/mol
Exact Mass351.95
IUPAC Name[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1c(C(F)F)ncc(C(F)(F)F)c1I
InChIInChI=1S/C8H6F5IN2/c9-7(10)6-3(1-15)5(14)4(2-16-6)8(11,12)13/h2,7H,1,15H2
InChIKeyZWZLZZNIGSSNGU-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)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
CID 118812353
2-[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843000
ethyl 3-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133084611
2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087722
2-[2-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118854183
[2-(difluoromethyl)-3-fluoro-5-iodo-4-pyridinyl]methanamine
CID 118801498
3-(bromomethyl)-4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130075107
[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133084455
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118809162

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine (CID 130086810) is [2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1c(C(F)F)ncc(C(F)(F)F)c1I.
What is the InChIKey of [2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is ZWZLZZNIGSSNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5IN2/c9-7(10)6-3(1-15)5(14)4(2-16-6)8(11,12)13/h2,7H,1,15H2.
What are the key properties of [2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-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)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 130086810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).