2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine

C7H3F5IN — CID 130096758

IUPAC2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
SMILESFC(F)c1nccc(C(F)(F)F)c1I
InChIInChI=1S/C7H3F5IN/c8-6(9)5-4(13)3(1-2-14-5)7(10,11)12/h1-2,6H
InChIKeyMRACUKRJNRIWLR-UHFFFAOYSA-N
MW323.00 g/mol
LogP3.64
Rot. Bonds1

About 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine

2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine (PubChem CID 130096758) has the molecular formula C7H3F5IN and a molecular weight of 323.00 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
PubChem CID130096758
Molecular FormulaC7H3F5IN
Molecular Weight323.00 g/mol
Exact Mass322.92
IUPAC Name2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
SMILESFC(F)c1nccc(C(F)(F)F)c1I
InChIInChI=1S/C7H3F5IN/c8-6(9)5-4(13)3(1-2-14-5)7(10,11)12/h1-2,6H
InChIKeyMRACUKRJNRIWLR-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.00
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
CID 118812353
[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118818433
4-bromo-2-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118817041
2-(difluoromethyl)-4-methyl-3-(trifluoromethyl)pyridine
CID 130097652
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131498013
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
2-[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843000
3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
CID 134626969
3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 69024684
3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
CID 130097661
[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130086810

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine (CID 130096758) is 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine is FC(F)c1nccc(C(F)(F)F)c1I.
What is the InChIKey of 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine?
The InChIKey is MRACUKRJNRIWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5IN/c8-6(9)5-4(13)3(1-2-14-5)7(10,11)12/h1-2,6H.
What are the key properties of 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine?
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine has a molecular weight of 323.00 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 130096758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).