(4-chlorophenyl)boronic acid;1,8-naphthyridine

C14H12BClN2O2 — CID 139125206

IUPAC(4-chlorophenyl)boronic acid;1,8-naphthyridine
SMILESOB(O)c1ccc(Cl)cc1.c1cnc2ncccc2c1
InChIInChI=1S/C8H6N2.C6H6BClO2/c1-3-7-4-2-6-10-8(7)9-5-1;8-6-3-1-5(2-4-6)7(9)10/h1-6H;1-4,9-10H
InChIKeySGZPPQZHMZFRQP-UHFFFAOYSA-N
MW286.53 g/mol
LogP1.65
Rot. Bonds1

About (4-chlorophenyl)boronic acid;1,8-naphthyridine

(4-chlorophenyl)boronic acid;1,8-naphthyridine (PubChem CID 139125206) has the molecular formula C14H12BClN2O2 and a molecular weight of 286.53 g/mol. Its IUPAC name is (4-chlorophenyl)boronic acid;1,8-naphthyridine.

Molecular Properties

Compound Name(4-chlorophenyl)boronic acid;1,8-naphthyridine
PubChem CID139125206
Molecular FormulaC14H12BClN2O2
Molecular Weight286.53 g/mol
Exact Mass286.07
IUPAC Name(4-chlorophenyl)boronic acid;1,8-naphthyridine
SMILESOB(O)c1ccc(Cl)cc1.c1cnc2ncccc2c1
InChIInChI=1S/C8H6N2.C6H6BClO2/c1-3-7-4-2-6-10-8(7)9-5-1;8-6-3-1-5(2-4-6)7(9)10/h1-6H;1-4,9-10H
InChIKeySGZPPQZHMZFRQP-UHFFFAOYSA-N
XLogP1.65
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)boronic acid;1,8-naphthyridine?
The IUPAC name of (4-chlorophenyl)boronic acid;1,8-naphthyridine (CID 139125206) is (4-chlorophenyl)boronic acid;1,8-naphthyridine.
What is the SMILES notation for (4-chlorophenyl)boronic acid;1,8-naphthyridine?
The canonical SMILES for (4-chlorophenyl)boronic acid;1,8-naphthyridine is OB(O)c1ccc(Cl)cc1.c1cnc2ncccc2c1.
What is the InChIKey of (4-chlorophenyl)boronic acid;1,8-naphthyridine?
The InChIKey is SGZPPQZHMZFRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C6H6BClO2/c1-3-7-4-2-6-10-8(7)9-5-1;8-6-3-1-5(2-4-6)7(9)10/h1-6H;1-4,9-10H.
What are the key properties of (4-chlorophenyl)boronic acid;1,8-naphthyridine?
(4-chlorophenyl)boronic acid;1,8-naphthyridine has a molecular weight of 286.53 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)boronic acid;1,8-naphthyridine is sourced from PubChem (CID 139125206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).