(5-naphthalen-2-yl-2-nitrophenyl)boronic acid

C16H12BNO4 — CID 140808573

IUPAC(5-naphthalen-2-yl-2-nitrophenyl)boronic acid
SMILESO=[N+]([O-])c1ccc(-c2ccc3ccccc3c2)cc1B(O)O
InChIInChI=1S/C16H12BNO4/c19-17(20)15-10-14(7-8-16(15)18(21)22)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,19-20H
InChIKeySNUVGWXRUDYEDY-UHFFFAOYSA-N
MW293.09 g/mol
LogP2.09
Rot. Bonds3

About (5-naphthalen-2-yl-2-nitrophenyl)boronic acid

(5-naphthalen-2-yl-2-nitrophenyl)boronic acid (PubChem CID 140808573) has the molecular formula C16H12BNO4 and a molecular weight of 293.09 g/mol. Its IUPAC name is (5-naphthalen-2-yl-2-nitrophenyl)boronic acid.

Molecular Properties

Compound Name(5-naphthalen-2-yl-2-nitrophenyl)boronic acid
PubChem CID140808573
Molecular FormulaC16H12BNO4
Molecular Weight293.09 g/mol
Exact Mass293.09
IUPAC Name(5-naphthalen-2-yl-2-nitrophenyl)boronic acid
SMILESO=[N+]([O-])c1ccc(-c2ccc3ccccc3c2)cc1B(O)O
InChIInChI=1S/C16H12BNO4/c19-17(20)15-10-14(7-8-16(15)18(21)22)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,19-20H
InChIKeySNUVGWXRUDYEDY-UHFFFAOYSA-N
XLogP2.09
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-nitronaphthalen-2-yl)boronic acid
CID 140905609
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
2,3-dinitrohexacene
CID 101108857
3-nitronaphthalen-2-ol
CID 15859501
(3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone
CID 67094575
2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
CID 171044125
2,6-dinaphthalen-2-yl-4-(4-nitrophenyl)pyrylium
CID 101269925
(1-naphthalen-2-ylanthracen-2-yl)boronic acid
CID 160980106
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
(8-nitronaphthalen-2-yl)boronic acid
CID 163207362
naphthalen-2-ol;nitrobenzene
CID 163774452
2-nitro-7-phenylanthracene
CID 54232737

Frequently Asked Questions

What is the IUPAC name of (5-naphthalen-2-yl-2-nitrophenyl)boronic acid?
The IUPAC name of (5-naphthalen-2-yl-2-nitrophenyl)boronic acid (CID 140808573) is (5-naphthalen-2-yl-2-nitrophenyl)boronic acid.
What is the SMILES notation for (5-naphthalen-2-yl-2-nitrophenyl)boronic acid?
The canonical SMILES for (5-naphthalen-2-yl-2-nitrophenyl)boronic acid is O=[N+]([O-])c1ccc(-c2ccc3ccccc3c2)cc1B(O)O.
What is the InChIKey of (5-naphthalen-2-yl-2-nitrophenyl)boronic acid?
The InChIKey is SNUVGWXRUDYEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BNO4/c19-17(20)15-10-14(7-8-16(15)18(21)22)13-6-5-11-3-1-2-4-12(11)9-13/h1-10,19-20H.
What are the key properties of (5-naphthalen-2-yl-2-nitrophenyl)boronic acid?
(5-naphthalen-2-yl-2-nitrophenyl)boronic acid has a molecular weight of 293.09 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-naphthalen-2-yl-2-nitrophenyl)boronic acid is sourced from PubChem (CID 140808573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).