1-(bromomethyl)-3-nitronaphthalene

C11H8BrNO2 — CID 12749181

IUPAC1-(bromomethyl)-3-nitronaphthalene
SMILESO=[N+]([O-])c1cc(CBr)c2ccccc2c1
InChIInChI=1S/C11H8BrNO2/c12-7-9-6-10(13(14)15)5-8-3-1-2-4-11(8)9/h1-6H,7H2
InChIKeyFKNFDTGVWSDXOE-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.64
Rot. Bonds2

About 1-(bromomethyl)-3-nitronaphthalene

1-(bromomethyl)-3-nitronaphthalene (PubChem CID 12749181) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 1-(bromomethyl)-3-nitronaphthalene.

Molecular Properties

Compound Name1-(bromomethyl)-3-nitronaphthalene
PubChem CID12749181
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name1-(bromomethyl)-3-nitronaphthalene
SMILESO=[N+]([O-])c1cc(CBr)c2ccccc2c1
InChIInChI=1S/C11H8BrNO2/c12-7-9-6-10(13(14)15)5-8-3-1-2-4-11(8)9/h1-6H,7H2
InChIKeyFKNFDTGVWSDXOE-UHFFFAOYSA-N
XLogP3.64
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

methyl (3-nitronaphthalen-1-yl)methanesulfinate
CID 121012204
1-chloro-3-nitronaphthalene
CID 13462997
1,2-bis(bromomethyl)-4-nitrobenzene;ethane
CID 143301979
2-(bromomethyl)-4-nitro-1-phenylbenzene
CID 14317417
2-[2-(bromomethyl)phenoxy]-1,3-dichloro-5-nitrobenzene
CID 107088258
3-nitroanthracen-9-ol
CID 22457424
N-methyl-3-nitronaphthalene-1-carboxamide
CID 54231146
9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
2-bromo-1-(bromomethyl)-4-nitrobenzene
CID 14644718
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
3,5-dinitrobenzoic acid;2-(naphthalen-1-ylmethyl)phenol
CID 71387613
1,5-bis(bromomethyl)-2,4-dinitrobenzene
CID 3532624

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-nitronaphthalene?
The IUPAC name of 1-(bromomethyl)-3-nitronaphthalene (CID 12749181) is 1-(bromomethyl)-3-nitronaphthalene.
What is the SMILES notation for 1-(bromomethyl)-3-nitronaphthalene?
The canonical SMILES for 1-(bromomethyl)-3-nitronaphthalene is O=[N+]([O-])c1cc(CBr)c2ccccc2c1.
What is the InChIKey of 1-(bromomethyl)-3-nitronaphthalene?
The InChIKey is FKNFDTGVWSDXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-7-9-6-10(13(14)15)5-8-3-1-2-4-11(8)9/h1-6H,7H2.
What are the key properties of 1-(bromomethyl)-3-nitronaphthalene?
1-(bromomethyl)-3-nitronaphthalene has a molecular weight of 266.09 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-nitronaphthalene is sourced from PubChem (CID 12749181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).