(2-amino-3-chloro-5-fluorophenyl)boronic acid

C6H6BClFNO2 — CID 167714420

IUPAC(2-amino-3-chloro-5-fluorophenyl)boronic acid
SMILESNc1c(Cl)cc(F)cc1B(O)O
InChIInChI=1S/C6H6BClFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,11-12H,10H2
InChIKeyGQSFBTHLMQFMOX-UHFFFAOYSA-N
MW189.38 g/mol
LogP-0.26
Rot. Bonds1

About (2-amino-3-chloro-5-fluorophenyl)boronic acid

(2-amino-3-chloro-5-fluorophenyl)boronic acid (PubChem CID 167714420) has the molecular formula C6H6BClFNO2 and a molecular weight of 189.38 g/mol. Its IUPAC name is (2-amino-3-chloro-5-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(2-amino-3-chloro-5-fluorophenyl)boronic acid
PubChem CID167714420
Molecular FormulaC6H6BClFNO2
Molecular Weight189.38 g/mol
Exact Mass189.02
IUPAC Name(2-amino-3-chloro-5-fluorophenyl)boronic acid
SMILESNc1c(Cl)cc(F)cc1B(O)O
InChIInChI=1S/C6H6BClFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,11-12H,10H2
InChIKeyGQSFBTHLMQFMOX-UHFFFAOYSA-N
XLogP-0.26
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-fluoro-3-methylphenyl)boronic acid
CID 124706970
1-(2-amino-3-chloro-5-fluorophenyl)ethanone
CID 67511652
(4-chloro-5-fluoro-2-methylphenyl)boronic acid
CID 118995794
2-amino-6-chloro-4-fluorophenol
CID 11275173
propan-2-yl 2-amino-3-chloro-5-fluorobenzoate
CID 60837142
2-chloro-4-fluoro-6-phenylaniline
CID 69144890
(2-amino-4-fluorophenyl)boronic acid
CID 68784088
1-(2-amino-3-chloro-5-fluorophenyl)-2-bromoethanone
CID 171021726
2-chloro-6-(4-ethylphenyl)-4-fluoroaniline
CID 107615744
(2-chloro-5-fluoro-3-methoxycarbonylphenyl)boronic acid
CID 164891137
1-(2-amino-3-chloro-5-fluorophenyl)-3-bromopropane-1,2-diol
CID 171860052
2-chloro-4-fluoro-6-(2-methyl-4-pyridinyl)aniline
CID 107616008

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-chloro-5-fluorophenyl)boronic acid?
The IUPAC name of (2-amino-3-chloro-5-fluorophenyl)boronic acid (CID 167714420) is (2-amino-3-chloro-5-fluorophenyl)boronic acid.
What is the SMILES notation for (2-amino-3-chloro-5-fluorophenyl)boronic acid?
The canonical SMILES for (2-amino-3-chloro-5-fluorophenyl)boronic acid is Nc1c(Cl)cc(F)cc1B(O)O.
What is the InChIKey of (2-amino-3-chloro-5-fluorophenyl)boronic acid?
The InChIKey is GQSFBTHLMQFMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BClFNO2/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,11-12H,10H2.
What are the key properties of (2-amino-3-chloro-5-fluorophenyl)boronic acid?
(2-amino-3-chloro-5-fluorophenyl)boronic acid has a molecular weight of 189.38 g/mol, XLogP of -0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-chloro-5-fluorophenyl)boronic acid is sourced from PubChem (CID 167714420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).