(4-pyridin-3-ylnaphthalen-1-yl)boronic acid

C15H12BNO2 — CID 141400431

IUPAC(4-pyridin-3-ylnaphthalen-1-yl)boronic acid
SMILESOB(O)c1ccc(-c2cccnc2)c2ccccc12
InChIInChI=1S/C15H12BNO2/c18-16(19)15-8-7-12(11-4-3-9-17-10-11)13-5-1-2-6-14(13)15/h1-10,18-19H
InChIKeyOYTLLPDWQMQVJI-UHFFFAOYSA-N
MW249.08 g/mol
LogP1.58
Rot. Bonds2

About (4-pyridin-3-ylnaphthalen-1-yl)boronic acid

(4-pyridin-3-ylnaphthalen-1-yl)boronic acid (PubChem CID 141400431) has the molecular formula C15H12BNO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is (4-pyridin-3-ylnaphthalen-1-yl)boronic acid.

Molecular Properties

Compound Name(4-pyridin-3-ylnaphthalen-1-yl)boronic acid
PubChem CID141400431
Molecular FormulaC15H12BNO2
Molecular Weight249.08 g/mol
Exact Mass249.10
IUPAC Name(4-pyridin-3-ylnaphthalen-1-yl)boronic acid
SMILESOB(O)c1ccc(-c2cccnc2)c2ccccc12
InChIInChI=1S/C15H12BNO2/c18-16(19)15-8-7-12(11-4-3-9-17-10-11)13-5-1-2-6-14(13)15/h1-10,18-19H
InChIKeyOYTLLPDWQMQVJI-UHFFFAOYSA-N
XLogP1.58
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
3-(2-methylphenyl)pyridine
CID 4133191
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168483
3-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
CID 88552191
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]pyridine
CID 88551707
3-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]pyridine
CID 171760954
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
3-pyren-1-ylpyridine
CID 58924967
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-pyridin-3-ylnaphthalen-1-yl)naphthalen-1-yl]pyrimidine
CID 165168509
2-pyridin-3-ylnaphthalene-1-carbonitrile
CID 71514388

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-ylnaphthalen-1-yl)boronic acid?
The IUPAC name of (4-pyridin-3-ylnaphthalen-1-yl)boronic acid (CID 141400431) is (4-pyridin-3-ylnaphthalen-1-yl)boronic acid.
What is the SMILES notation for (4-pyridin-3-ylnaphthalen-1-yl)boronic acid?
The canonical SMILES for (4-pyridin-3-ylnaphthalen-1-yl)boronic acid is OB(O)c1ccc(-c2cccnc2)c2ccccc12.
What is the InChIKey of (4-pyridin-3-ylnaphthalen-1-yl)boronic acid?
The InChIKey is OYTLLPDWQMQVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BNO2/c18-16(19)15-8-7-12(11-4-3-9-17-10-11)13-5-1-2-6-14(13)15/h1-10,18-19H.
What are the key properties of (4-pyridin-3-ylnaphthalen-1-yl)boronic acid?
(4-pyridin-3-ylnaphthalen-1-yl)boronic acid has a molecular weight of 249.08 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-ylnaphthalen-1-yl)boronic acid is sourced from PubChem (CID 141400431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).