2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine

C7H5Br2F2NO — CID 118992622

IUPAC2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
SMILESCOc1cnc(Br)c(Br)c1C(F)F
InChIInChI=1S/C7H5Br2F2NO/c1-13-3-2-12-6(9)5(8)4(3)7(10)11/h2,7H,1H3
InChIKeyKYLBIRUWHICMKJ-UHFFFAOYSA-N
MW316.93 g/mol
LogP3.55
Rot. Bonds2

About 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine

2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine (PubChem CID 118992622) has the molecular formula C7H5Br2F2NO and a molecular weight of 316.93 g/mol. Its IUPAC name is 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine.

Molecular Properties

Compound Name2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
PubChem CID118992622
Molecular FormulaC7H5Br2F2NO
Molecular Weight316.93 g/mol
Exact Mass314.87
IUPAC Name2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
SMILESCOc1cnc(Br)c(Br)c1C(F)F
InChIInChI=1S/C7H5Br2F2NO/c1-13-3-2-12-6(9)5(8)4(3)7(10)11/h2,7H,1H3
InChIKeyKYLBIRUWHICMKJ-UHFFFAOYSA-N
XLogP3.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.93
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine 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

3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100804
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587
2-(bromomethyl)-3-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087790
4-(difluoromethyl)-3-fluoro-5-methoxypyridin-2-amine
CID 118991384
2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535
6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130101775
2-[3-(bromomethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 130091195
4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
3-(difluoromethyl)-5-methoxypyridine-2,4-diamine
CID 119019295
4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine
CID 118806198
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine?
The IUPAC name of 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine (CID 118992622) is 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine.
What is the SMILES notation for 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine?
The canonical SMILES for 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine is COc1cnc(Br)c(Br)c1C(F)F.
What is the InChIKey of 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine?
The InChIKey is KYLBIRUWHICMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F2NO/c1-13-3-2-12-6(9)5(8)4(3)7(10)11/h2,7H,1H3.
What are the key properties of 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine?
2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine has a molecular weight of 316.93 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine is sourced from PubChem (CID 118992622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).