3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine

C7H5BrF3NO — CID 130109360

IUPAC3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
SMILESCOc1c(C(F)F)cnc(F)c1Br
InChIInChI=1S/C7H5BrF3NO/c1-13-5-3(6(9)10)2-12-7(11)4(5)8/h2,6H,1H3
InChIKeyKKYJYDCXOLMVMG-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.93
Rot. Bonds2

About 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine

3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine (PubChem CID 130109360) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
PubChem CID130109360
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine
SMILESCOc1c(C(F)F)cnc(F)c1Br
InChIInChI=1S/C7H5BrF3NO/c1-13-5-3(6(9)10)2-12-7(11)4(5)8/h2,6H,1H3
InChIKeyKKYJYDCXOLMVMG-UHFFFAOYSA-N
XLogP2.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130109359
5-(difluoromethyl)-2-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105200
3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine
CID 130107809
2-bromo-5-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130101773
methyl 2-[3-bromo-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 134674264
2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
CID 130073994
4-bromo-5-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine
CID 118833826
2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
CID 119011099
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080662
3-chloro-5-(difluoromethyl)-2,4-dimethoxypyridine
CID 130100817
[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]methanol
CID 119022056

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine?
The IUPAC name of 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine (CID 130109360) is 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine is COc1c(C(F)F)cnc(F)c1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine?
The InChIKey is KKYJYDCXOLMVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c1-13-5-3(6(9)10)2-12-7(11)4(5)8/h2,6H,1H3.
What are the key properties of 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine?
3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine has a molecular weight of 256.02 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-2-fluoro-4-methoxypyridine is sourced from PubChem (CID 130109360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).