2-bromo-6-(difluoromethyl)pyridine-3,5-diol

C6H4BrF2NO2 — CID 119008806

IUPAC2-bromo-6-(difluoromethyl)pyridine-3,5-diol
SMILESOc1cc(O)c(C(F)F)nc1Br
InChIInChI=1S/C6H4BrF2NO2/c7-5-3(12)1-2(11)4(10-5)6(8)9/h1,6,11-12H
InChIKeyRSVAMNQQDWXDFE-UHFFFAOYSA-N
MW240.00 g/mol
LogP2.19
Rot. Bonds1

About 2-bromo-6-(difluoromethyl)pyridine-3,5-diol

2-bromo-6-(difluoromethyl)pyridine-3,5-diol (PubChem CID 119008806) has the molecular formula C6H4BrF2NO2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethyl)pyridine-3,5-diol.

Molecular Properties

Compound Name2-bromo-6-(difluoromethyl)pyridine-3,5-diol
PubChem CID119008806
Molecular FormulaC6H4BrF2NO2
Molecular Weight240.00 g/mol
Exact Mass238.94
IUPAC Name2-bromo-6-(difluoromethyl)pyridine-3,5-diol
SMILESOc1cc(O)c(C(F)F)nc1Br
InChIInChI=1S/C6H4BrF2NO2/c7-5-3(12)1-2(11)4(10-5)6(8)9/h1,6,11-12H
InChIKeyRSVAMNQQDWXDFE-UHFFFAOYSA-N
XLogP2.19
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-6-(difluoromethyl)pyridin-3-ol
CID 130098897
6-bromo-2-(difluoromethyl)-5-methylpyridin-3-ol
CID 119007846
5-amino-6-bromo-2-(difluoromethyl)pyridin-3-ol
CID 130101693
ethyl 2-bromo-6-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 134684348
ethyl 2-[2-bromo-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134684377
5-bromo-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130107859
2-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridin-3-ol
CID 118825956
2-[3-(bromomethyl)-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130085033
2-bromo-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 118997697
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
2,3-dibromo-6-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 134683525
6-bromo-2-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130109276

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethyl)pyridine-3,5-diol?
The IUPAC name of 2-bromo-6-(difluoromethyl)pyridine-3,5-diol (CID 119008806) is 2-bromo-6-(difluoromethyl)pyridine-3,5-diol.
What is the SMILES notation for 2-bromo-6-(difluoromethyl)pyridine-3,5-diol?
The canonical SMILES for 2-bromo-6-(difluoromethyl)pyridine-3,5-diol is Oc1cc(O)c(C(F)F)nc1Br.
What is the InChIKey of 2-bromo-6-(difluoromethyl)pyridine-3,5-diol?
The InChIKey is RSVAMNQQDWXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2/c7-5-3(12)1-2(11)4(10-5)6(8)9/h1,6,11-12H.
What are the key properties of 2-bromo-6-(difluoromethyl)pyridine-3,5-diol?
2-bromo-6-(difluoromethyl)pyridine-3,5-diol has a molecular weight of 240.00 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethyl)pyridine-3,5-diol is sourced from PubChem (CID 119008806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).