1-bromo-5-(2-nitrophenyl)naphthalene

C16H10BrNO2 — CID 118332360

IUPAC1-bromo-5-(2-nitrophenyl)naphthalene
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c(Br)cccc12
InChIInChI=1S/C16H10BrNO2/c17-15-9-4-7-11-12(6-3-8-13(11)15)14-5-1-2-10-16(14)18(19)20/h1-10H
InChIKeyIEBSDPOHZXTBSL-UHFFFAOYSA-N
MW328.17 g/mol
LogP5.18
Rot. Bonds2

About 1-bromo-5-(2-nitrophenyl)naphthalene

1-bromo-5-(2-nitrophenyl)naphthalene (PubChem CID 118332360) has the molecular formula C16H10BrNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is 1-bromo-5-(2-nitrophenyl)naphthalene.

Molecular Properties

Compound Name1-bromo-5-(2-nitrophenyl)naphthalene
PubChem CID118332360
Molecular FormulaC16H10BrNO2
Molecular Weight328.17 g/mol
Exact Mass326.99
IUPAC Name1-bromo-5-(2-nitrophenyl)naphthalene
SMILESO=[N+]([O-])c1ccccc1-c1cccc2c(Br)cccc12
InChIInChI=1S/C16H10BrNO2/c17-15-9-4-7-11-12(6-3-8-13(11)15)14-5-1-2-10-16(14)18(19)20/h1-10H
InChIKeyIEBSDPOHZXTBSL-UHFFFAOYSA-N
XLogP5.18
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.17
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-nitrobenzene
CID 158366116
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
1-bromo-2-nitrobenzene;ethane
CID 91072043
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
1-bromo-2-chloro-3-nitrobenzene
CID 22736053
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1-bromo-2-[(2-bromophenyl)methoxy]-3-nitrobenzene
CID 81499450
[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
CID 61391476
1-bromo-2-nitrobenzene;propan-2-one
CID 46911798
9,9-dimethyl-4-(2-nitrophenyl)fluorene
CID 175669556
2-(2-nitrophenyl)naphthalen-1-amine
CID 91493820

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(2-nitrophenyl)naphthalene?
The IUPAC name of 1-bromo-5-(2-nitrophenyl)naphthalene (CID 118332360) is 1-bromo-5-(2-nitrophenyl)naphthalene.
What is the SMILES notation for 1-bromo-5-(2-nitrophenyl)naphthalene?
The canonical SMILES for 1-bromo-5-(2-nitrophenyl)naphthalene is O=[N+]([O-])c1ccccc1-c1cccc2c(Br)cccc12.
What is the InChIKey of 1-bromo-5-(2-nitrophenyl)naphthalene?
The InChIKey is IEBSDPOHZXTBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO2/c17-15-9-4-7-11-12(6-3-8-13(11)15)14-5-1-2-10-16(14)18(19)20/h1-10H.
What are the key properties of 1-bromo-5-(2-nitrophenyl)naphthalene?
1-bromo-5-(2-nitrophenyl)naphthalene has a molecular weight of 328.17 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(2-nitrophenyl)naphthalene is sourced from PubChem (CID 118332360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).