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

C7H4Br3F2N — CID 130098975

IUPAC2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
SMILESFC(F)c1cnc(Br)c(Br)c1CBr
InChIInChI=1S/C7H4Br3F2N/c8-1-3-4(7(11)12)2-13-6(10)5(3)9/h2,7H,1H2
InChIKeySRQBAQCQHYOPSM-UHFFFAOYSA-N
MW379.82 g/mol
LogP4.44
Rot. Bonds2

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

2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine (PubChem CID 130098975) has the molecular formula C7H4Br3F2N and a molecular weight of 379.82 g/mol. Its IUPAC name is 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
PubChem CID130098975
Molecular FormulaC7H4Br3F2N
Molecular Weight379.82 g/mol
Exact Mass376.79
IUPAC Name2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine
SMILESFC(F)c1cnc(Br)c(Br)c1CBr
InChIInChI=1S/C7H4Br3F2N/c8-1-3-4(7(11)12)2-13-6(10)5(3)9/h2,7H,1H2
InChIKeySRQBAQCQHYOPSM-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 54.44
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'}

Analyze 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070216
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 118990855
2-bromo-4-(bromomethyl)-5-(difluoromethyl)-3-nitropyridine
CID 130069731
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine
CID 119021688
[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130070291
methyl 2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134684285
4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
CID 130096329
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine
CID 130095511
2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
3-(bromomethyl)-5-(difluoromethyl)pyridine-2,4-diamine
CID 130098692
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087840

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine?
The IUPAC name of 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine (CID 130098975) is 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine.
What is the SMILES notation for 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine?
The canonical SMILES for 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine is FC(F)c1cnc(Br)c(Br)c1CBr.
What is the InChIKey of 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine?
The InChIKey is SRQBAQCQHYOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br3F2N/c8-1-3-4(7(11)12)2-13-6(10)5(3)9/h2,7H,1H2.
What are the key properties of 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine?
2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine has a molecular weight of 379.82 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-(bromomethyl)-5-(difluoromethyl)pyridine is sourced from PubChem (CID 130098975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).