(2-amino-6-chloro-3-pyridinyl)boronic acid

C5H6BClN2O2 — CID 91882910

IUPAC(2-amino-6-chloro-3-pyridinyl)boronic acid
SMILESNc1nc(Cl)ccc1B(O)O
InChIInChI=1S/C5H6BClN2O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H,(H2,8,9)
InChIKeyBGAGWTAVFUMJJR-UHFFFAOYSA-N
MW172.38 g/mol
LogP-1.00
Rot. Bonds1

About (2-amino-6-chloro-3-pyridinyl)boronic acid

(2-amino-6-chloro-3-pyridinyl)boronic acid (PubChem CID 91882910) has the molecular formula C5H6BClN2O2 and a molecular weight of 172.38 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-amino-6-chloro-3-pyridinyl)boronic acid
PubChem CID91882910
Molecular FormulaC5H6BClN2O2
Molecular Weight172.38 g/mol
Exact Mass172.02
IUPAC Name(2-amino-6-chloro-3-pyridinyl)boronic acid
SMILESNc1nc(Cl)ccc1B(O)O
InChIInChI=1S/C5H6BClN2O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H,(H2,8,9)
InChIKeyBGAGWTAVFUMJJR-UHFFFAOYSA-N
XLogP-1.00
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-amino-6-chloropyridine-3-carboxamide
CID 22607643
lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
CID 173014612
3-[amino(methyl)amino]-6-chloropyridin-2-amine
CID 154675949
(2-amino-6-chloro-3-pyridinyl) acetate
CID 143445346
6-chloro-3-propylpyridin-2-amine
CID 71433192
6-chloro-3-ethynylpyridin-2-amine
CID 74891477
(1R,2S)-1-amino-1-(2,6-dichloro-3-pyridinyl)propan-2-ol
CID 130618256
2-amino-N-(2-amino-6-chloro-3-pyridinyl)acetamide
CID 163544169
2-(2,6-dichloro-3-pyridinyl)-5-methyltriazol-4-amine
CID 97057734
lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid
CID 158642535
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079
methyl 2-[(2-amino-6-chloro-3-pyridinyl)sulfanyl]acetate
CID 156861837

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-chloro-3-pyridinyl)boronic acid?
The IUPAC name of (2-amino-6-chloro-3-pyridinyl)boronic acid (CID 91882910) is (2-amino-6-chloro-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-amino-6-chloro-3-pyridinyl)boronic acid?
The canonical SMILES for (2-amino-6-chloro-3-pyridinyl)boronic acid is Nc1nc(Cl)ccc1B(O)O.
What is the InChIKey of (2-amino-6-chloro-3-pyridinyl)boronic acid?
The InChIKey is BGAGWTAVFUMJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BClN2O2/c7-4-2-1-3(6(10)11)5(8)9-4/h1-2,10-11H,(H2,8,9).
What are the key properties of (2-amino-6-chloro-3-pyridinyl)boronic acid?
(2-amino-6-chloro-3-pyridinyl)boronic acid has a molecular weight of 172.38 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-chloro-3-pyridinyl)boronic acid is sourced from PubChem (CID 91882910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).