(7-aminonaphthalen-2-yl)boronic acid

C10H10BNO2 — CID 22559083

IUPAC(7-aminonaphthalen-2-yl)boronic acid
SMILESNc1ccc2ccc(B(O)O)cc2c1
InChIInChI=1S/C10H10BNO2/c12-10-4-2-7-1-3-9(11(13)14)5-8(7)6-10/h1-6,13-14H,12H2
InChIKeySQGYMYJXNBMXKB-UHFFFAOYSA-N
MW187.01 g/mol
LogP0.10
Rot. Bonds1

About (7-aminonaphthalen-2-yl)boronic acid

(7-aminonaphthalen-2-yl)boronic acid (PubChem CID 22559083) has the molecular formula C10H10BNO2 and a molecular weight of 187.01 g/mol. Its IUPAC name is (7-aminonaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(7-aminonaphthalen-2-yl)boronic acid
PubChem CID22559083
Molecular FormulaC10H10BNO2
Molecular Weight187.01 g/mol
Exact Mass187.08
IUPAC Name(7-aminonaphthalen-2-yl)boronic acid
SMILESNc1ccc2ccc(B(O)O)cc2c1
InChIInChI=1S/C10H10BNO2/c12-10-4-2-7-1-3-9(11(13)14)5-8(7)6-10/h1-6,13-14H,12H2
InChIKeySQGYMYJXNBMXKB-UHFFFAOYSA-N
XLogP0.10
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.01
LogP ≤ 50.10
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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Frequently Asked Questions

What is the IUPAC name of (7-aminonaphthalen-2-yl)boronic acid?
The IUPAC name of (7-aminonaphthalen-2-yl)boronic acid (CID 22559083) is (7-aminonaphthalen-2-yl)boronic acid.
What is the SMILES notation for (7-aminonaphthalen-2-yl)boronic acid?
The canonical SMILES for (7-aminonaphthalen-2-yl)boronic acid is Nc1ccc2ccc(B(O)O)cc2c1.
What is the InChIKey of (7-aminonaphthalen-2-yl)boronic acid?
The InChIKey is SQGYMYJXNBMXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BNO2/c12-10-4-2-7-1-3-9(11(13)14)5-8(7)6-10/h1-6,13-14H,12H2.
What are the key properties of (7-aminonaphthalen-2-yl)boronic acid?
(7-aminonaphthalen-2-yl)boronic acid has a molecular weight of 187.01 g/mol, XLogP of 0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-aminonaphthalen-2-yl)boronic acid is sourced from PubChem (CID 22559083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).