3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine

C7H4BrF4N — CID 130099754

IUPAC3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine
SMILESFc1cc(F)c(CBr)c(C(F)F)n1
InChIInChI=1S/C7H4BrF4N/c8-2-3-4(9)1-5(10)13-6(3)7(11)12/h1,7H,2H2
InChIKeyYJECALNRRJJNAX-UHFFFAOYSA-N
MW258.01 g/mol
LogP3.19
Rot. Bonds2

About 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine

3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine (PubChem CID 130099754) has the molecular formula C7H4BrF4N and a molecular weight of 258.01 g/mol. Its IUPAC name is 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine
PubChem CID130099754
Molecular FormulaC7H4BrF4N
Molecular Weight258.01 g/mol
Exact Mass256.95
IUPAC Name3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine
SMILESFc1cc(F)c(CBr)c(C(F)F)n1
InChIInChI=1S/C7H4BrF4N/c8-2-3-4(9)1-5(10)13-6(3)7(11)12/h1,7H,2H2
InChIKeyYJECALNRRJJNAX-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.01
LogP ≤ 53.19
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'}

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Related Compounds

methyl 3-(bromomethyl)-2-(difluoromethyl)-6-fluoropyridine-4-carboxylate
CID 130082005
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
CID 130080031
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130081832
2-(difluoromethyl)-4,6-difluoro-3-iodopyridine
CID 118846195
2-(difluoromethyl)-4,6-difluoro-3-methylpyridine
CID 118851823
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737
3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
CID 130105324
3,4-dichloro-2-(difluoromethyl)-6-fluoropyridine
CID 130099210
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
CID 118823517
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130087013

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine?
The IUPAC name of 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine (CID 130099754) is 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine.
What is the SMILES notation for 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine?
The canonical SMILES for 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine is Fc1cc(F)c(CBr)c(C(F)F)n1.
What is the InChIKey of 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine?
The InChIKey is YJECALNRRJJNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4N/c8-2-3-4(9)1-5(10)13-6(3)7(11)12/h1,7H,2H2.
What are the key properties of 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine?
3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine has a molecular weight of 258.01 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine is sourced from PubChem (CID 130099754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).