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

C14H12BBrN2O2 — CID 139125207

IUPAC(4-bromophenyl)boronic acid;1,8-naphthyridine
SMILESOB(O)c1ccc(Br)cc1.c1cnc2ncccc2c1
InChIInChI=1S/C8H6N2.C6H6BBrO2/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
InChIKeyAEQMAEZWSUOBNU-UHFFFAOYSA-N
MW330.98 g/mol
LogP1.76
Rot. Bonds1

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

(4-bromophenyl)boronic acid;1,8-naphthyridine (PubChem CID 139125207) has the molecular formula C14H12BBrN2O2 and a molecular weight of 330.98 g/mol. Its IUPAC name is (4-bromophenyl)boronic acid;1,8-naphthyridine.

Molecular Properties

Compound Name(4-bromophenyl)boronic acid;1,8-naphthyridine
PubChem CID139125207
Molecular FormulaC14H12BBrN2O2
Molecular Weight330.98 g/mol
Exact Mass330.02
IUPAC Name(4-bromophenyl)boronic acid;1,8-naphthyridine
SMILESOB(O)c1ccc(Br)cc1.c1cnc2ncccc2c1
InChIInChI=1S/C8H6N2.C6H6BBrO2/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
InChIKeyAEQMAEZWSUOBNU-UHFFFAOYSA-N
XLogP1.76
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.98
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2,6-Dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328120
1,8-Naphthyridine
CID 136069
N-(3-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 5328266
4-N-[(3-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328082
2-m-Tolyl-1,8-naphthyridine
CID 44434718
2-Phenyl-1,8-naphthyridine
CID 12333592
2-(3-Bromophenyl)-7-methylpyrido[2,3-d]pyrimidine
CID 44435028
2-(3-Bromophenyl)pyrido[2,3-d]pyrimidine
CID 44435039
4-N-[(2-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328081
4-N-[(4-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328083
6-[(2-Bromophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
CID 44531061
6-[(4-bromo-N-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472908

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)boronic acid;1,8-naphthyridine?
The IUPAC name of (4-bromophenyl)boronic acid;1,8-naphthyridine (CID 139125207) is (4-bromophenyl)boronic acid;1,8-naphthyridine.
What is the SMILES notation for (4-bromophenyl)boronic acid;1,8-naphthyridine?
The canonical SMILES for (4-bromophenyl)boronic acid;1,8-naphthyridine is OB(O)c1ccc(Br)cc1.c1cnc2ncccc2c1.
What is the InChIKey of (4-bromophenyl)boronic acid;1,8-naphthyridine?
The InChIKey is AEQMAEZWSUOBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C6H6BBrO2/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-bromophenyl)boronic acid;1,8-naphthyridine?
(4-bromophenyl)boronic acid;1,8-naphthyridine has a molecular weight of 330.98 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)boronic acid;1,8-naphthyridine is sourced from PubChem (CID 139125207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).