2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine

C7H4BrClF3N — CID 119019587

IUPAC2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
SMILESFc1c(Br)ncc(CCl)c1C(F)F
InChIInChI=1S/C7H4BrClF3N/c8-6-5(10)4(7(11)12)3(1-9)2-13-6/h2,7H,1H2
InChIKeyJZOFCGRIXQVWDU-UHFFFAOYSA-N
MW274.47 g/mol
LogP3.66
Rot. Bonds2

About 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine

2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine (PubChem CID 119019587) has the molecular formula C7H4BrClF3N and a molecular weight of 274.47 g/mol. Its IUPAC name is 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine.

Molecular Properties

Compound Name2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
PubChem CID119019587
Molecular FormulaC7H4BrClF3N
Molecular Weight274.47 g/mol
Exact Mass272.92
IUPAC Name2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
SMILESFc1c(Br)ncc(CCl)c1C(F)F
InChIInChI=1S/C7H4BrClF3N/c8-6-5(10)4(7(11)12)3(1-9)2-13-6/h2,7H,1H2
InChIKeyJZOFCGRIXQVWDU-UHFFFAOYSA-N
XLogP3.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 53.66
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

2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118997990
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118995369
2-[5-(chloromethyl)-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 130082414
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
2-bromo-3-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 119025086
3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 130070510
4-chloro-5-(chloromethyl)-3-(difluoromethyl)-2-fluoropyridine
CID 130071815
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
2-[6-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetic acid
CID 119011277
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine?
The IUPAC name of 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine (CID 119019587) is 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine.
What is the SMILES notation for 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine?
The canonical SMILES for 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine is Fc1c(Br)ncc(CCl)c1C(F)F.
What is the InChIKey of 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine?
The InChIKey is JZOFCGRIXQVWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3N/c8-6-5(10)4(7(11)12)3(1-9)2-13-6/h2,7H,1H2.
What are the key properties of 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine?
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine has a molecular weight of 274.47 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine is sourced from PubChem (CID 119019587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).