6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol

C7H5BrClF2NO — CID 119007028

IUPAC6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol
SMILESOc1cnc(Br)c(C(F)F)c1CCl
InChIInChI=1S/C7H5BrClF2NO/c8-6-5(7(10)11)3(1-9)4(13)2-12-6/h2,7,13H,1H2
InChIKeyCAUIOTXGYDGJNS-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.23
Rot. Bonds2

About 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol

6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol (PubChem CID 119007028) has the molecular formula C7H5BrClF2NO and a molecular weight of 272.48 g/mol. Its IUPAC name is 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol
PubChem CID119007028
Molecular FormulaC7H5BrClF2NO
Molecular Weight272.48 g/mol
Exact Mass270.92
IUPAC Name6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol
SMILESOc1cnc(Br)c(C(F)F)c1CCl
InChIInChI=1S/C7H5BrClF2NO/c8-6-5(7(10)11)3(1-9)4(13)2-12-6/h2,7,13H,1H2
InChIKeyCAUIOTXGYDGJNS-UHFFFAOYSA-N
XLogP3.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
2-bromo-3-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 119025086
6-bromo-5-chloro-4-(difluoromethyl)pyridin-3-ol
CID 130107825
2-bromo-4-(difluoromethyl)pyridine-3,5-diol
CID 118999212
4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
CID 130082698
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
4-(aminomethyl)-6-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130070162
2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569
2-bromo-4-(difluoromethyl)-5-hydroxypyridine-3-sulfonamide
CID 118995756
2-[2-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118815646
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118995369
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol (CID 119007028) is 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol is Oc1cnc(Br)c(C(F)F)c1CCl.
What is the InChIKey of 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol?
The InChIKey is CAUIOTXGYDGJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2NO/c8-6-5(7(10)11)3(1-9)4(13)2-12-6/h2,7,13H,1H2.
What are the key properties of 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol?
6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol has a molecular weight of 272.48 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 119007028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).