6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide

C10H7BBrCl2F2N2O3- — CID 167708209

IUPAC6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide
SMILESFc1ccc(Br)nc1Cl.OB(O)c1ccc(F)c(Cl)n1.[OH-]
InChIInChI=1S/C5H4BClFNO2.C5H2BrClFN.H2O/c7-5-3(8)1-2-4(9-5)6(10)11;6-4-2-1-3(8)5(7)9-4;/h1-2,10-11H;1-2H;1H2/p-1
InChIKeyQGDZJJOGVCDQAZ-UHFFFAOYSA-M
MW402.80 g/mol
LogP2.01
Rot. Bonds1

About 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide

6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide (PubChem CID 167708209) has the molecular formula C10H7BBrCl2F2N2O3- and a molecular weight of 402.80 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide.

Molecular Properties

Compound Name6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide
PubChem CID167708209
Molecular FormulaC10H7BBrCl2F2N2O3-
Molecular Weight402.80 g/mol
Exact Mass400.91
IUPAC Name6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide
SMILESFc1ccc(Br)nc1Cl.OB(O)c1ccc(F)c(Cl)n1.[OH-]
InChIInChI=1S/C5H4BClFNO2.C5H2BrClFN.H2O/c7-5-3(8)1-2-4(9-5)6(10)11;6-4-2-1-3(8)5(7)9-4;/h1-2,10-11H;1-2H;1H2/p-1
InChIKeyQGDZJJOGVCDQAZ-UHFFFAOYSA-M
XLogP2.01
TPSA96.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.80
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-fluoro-2-methylpyridine
CID 118703748
CID 170756452
CID 170756452
(6-bromo-2-chloro-3-fluorophenyl)boronic acid
CID 44558199
6-chloro-5-fluoropyridine-2-carboxamide
CID 131442964
6-bromo-2,3-dichloropyrido[2,3-b]pyrazine
CID 154728648
6-bromo-2-fluoropyridin-3-ol;ethane
CID 143895031
[6-bromo-2-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 91882928
(6-bromo-3-fluoro-2-pyridinyl)methanamine
CID 112694257
6-bromo-2-chloropyridine-3-diazonium
CID 153453807
6-bromo-3-fluoro-N-methylpyridin-2-amine
CID 122605027
6-bromo-3-fluoropyridine-2-carbonitrile
CID 86333894
6-bromo-2-fluoro-3-nitropyridine
CID 119085951

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide?
The IUPAC name of 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide (CID 167708209) is 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide.
What is the SMILES notation for 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide?
The canonical SMILES for 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide is Fc1ccc(Br)nc1Cl.OB(O)c1ccc(F)c(Cl)n1.[OH-].
What is the InChIKey of 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide?
The InChIKey is QGDZJJOGVCDQAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4BClFNO2.C5H2BrClFN.H2O/c7-5-3(8)1-2-4(9-5)6(10)11;6-4-2-1-3(8)5(7)9-4;/h1-2,10-11H;1-2H;1H2/p-1.
What are the key properties of 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide?
6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide has a molecular weight of 402.80 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-3-fluoropyridine;(6-chloro-5-fluoro-2-pyridinyl)boronic acid;hydroxide is sourced from PubChem (CID 167708209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).