3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine

C8H4BrF5IN — CID 130087022

IUPAC3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(CBr)c(I)nc1C(F)(F)F
InChIInChI=1S/C8H4BrF5IN/c9-2-3-1-4(6(10)11)5(8(12,13)14)16-7(3)15/h1,6H,2H2
InChIKeySYRLFJDVFNBHBV-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.54
Rot. Bonds2

About 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine

3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine (PubChem CID 130087022) has the molecular formula C8H4BrF5IN and a molecular weight of 415.93 g/mol. Its IUPAC name is 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine
PubChem CID130087022
Molecular FormulaC8H4BrF5IN
Molecular Weight415.93 g/mol
Exact Mass414.85
IUPAC Name3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine
SMILESFC(F)c1cc(CBr)c(I)nc1C(F)(F)F
InChIInChI=1S/C8H4BrF5IN/c9-2-3-1-4(6(10)11)5(8(12,13)14)16-7(3)15/h1,6H,2H2
InChIKeySYRLFJDVFNBHBV-UHFFFAOYSA-N
XLogP4.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100717
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
6-(bromomethyl)-4-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130086999
5-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 134661690
2-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118855153
3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084830
methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029252
3-(bromomethyl)-5-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 130075114
2,6-dibromo-3-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098992
ethyl 2-[5-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133100169
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118801682
5-(difluoromethyl)-3-methoxy-2-methyl-6-(trifluoromethyl)pyridine
CID 133100071

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine (CID 130087022) is 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine is FC(F)c1cc(CBr)c(I)nc1C(F)(F)F.
What is the InChIKey of 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine?
The InChIKey is SYRLFJDVFNBHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF5IN/c9-2-3-1-4(6(10)11)5(8(12,13)14)16-7(3)15/h1,6H,2H2.
What are the key properties of 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine?
3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine has a molecular weight of 415.93 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 130087022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).