4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine

C7H4Br2ClF2N — CID 118826919

IUPAC4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
SMILESFC(F)c1c(CCl)ncc(Br)c1Br
InChIInChI=1S/C7H4Br2ClF2N/c8-3-2-13-4(1-10)5(6(3)9)7(11)12/h2,7H,1H2
InChIKeyQVNJLIAWMQOODS-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.28
Rot. Bonds2

About 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine

4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine (PubChem CID 118826919) has the molecular formula C7H4Br2ClF2N and a molecular weight of 335.37 g/mol. Its IUPAC name is 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine.

Molecular Properties

Compound Name4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
PubChem CID118826919
Molecular FormulaC7H4Br2ClF2N
Molecular Weight335.37 g/mol
Exact Mass332.84
IUPAC Name4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
SMILESFC(F)c1c(CCl)ncc(Br)c1Br
InChIInChI=1S/C7H4Br2ClF2N/c8-3-2-13-4(1-10)5(6(3)9)7(11)12/h2,7H,1H2
InChIKeyQVNJLIAWMQOODS-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130101968
4-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130070692
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661
6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine
CID 130104097
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
2-(chloromethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 118827119
3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130070631
2-(chloromethyl)-3-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine
CID 118826938
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine?
The IUPAC name of 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine (CID 118826919) is 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine.
What is the SMILES notation for 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine?
The canonical SMILES for 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine is FC(F)c1c(CCl)ncc(Br)c1Br.
What is the InChIKey of 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine?
The InChIKey is QVNJLIAWMQOODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2ClF2N/c8-3-2-13-4(1-10)5(6(3)9)7(11)12/h2,7H,1H2.
What are the key properties of 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine?
4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine has a molecular weight of 335.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine is sourced from PubChem (CID 118826919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).