3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine

C8H5F5IN — CID 130086106

IUPAC3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine
SMILESCc1ncc(C(F)(F)F)c(I)c1C(F)F
InChIInChI=1S/C8H5F5IN/c1-3-5(7(9)10)6(14)4(2-15-3)8(11,12)13/h2,7H,1H3
InChIKeyKFPSMXTWFCRVKT-UHFFFAOYSA-N
MW337.03 g/mol
LogP3.95
Rot. Bonds1

About 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine

3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine (PubChem CID 130086106) has the molecular formula C8H5F5IN and a molecular weight of 337.03 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine
PubChem CID130086106
Molecular FormulaC8H5F5IN
Molecular Weight337.03 g/mol
Exact Mass336.94
IUPAC Name3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine
SMILESCc1ncc(C(F)(F)F)c(I)c1C(F)F
InChIInChI=1S/C8H5F5IN/c1-3-5(7(9)10)6(14)4(2-15-3)8(11,12)13/h2,7H,1H3
InChIKeyKFPSMXTWFCRVKT-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.03
LogP ≤ 53.95
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

3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506
2-(chloromethyl)-3-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine
CID 118826938
3-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
CID 130097661
4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134661634
[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130086810
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118846177
2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130087722
2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
CID 118812353
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 119006850
2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine
CID 130097653

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine (CID 130086106) is 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine is Cc1ncc(C(F)(F)F)c(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is KFPSMXTWFCRVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5IN/c1-3-5(7(9)10)6(14)4(2-15-3)8(11,12)13/h2,7H,1H3.
What are the key properties of 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine?
3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 337.03 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 130086106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).