naphthalen-2-yl nitrate

C10H7NO3 — CID 13161391

IUPACnaphthalen-2-yl nitrate
SMILESO=[N+]([O-])Oc1ccc2ccccc2c1
InChIInChI=1S/C10H7NO3/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyZORDTEILMAWXLV-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.41
Rot. Bonds2

About naphthalen-2-yl nitrate

naphthalen-2-yl nitrate (PubChem CID 13161391) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is naphthalen-2-yl nitrate.

Molecular Properties

Compound Namenaphthalen-2-yl nitrate
PubChem CID13161391
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Namenaphthalen-2-yl nitrate
SMILESO=[N+]([O-])Oc1ccc2ccccc2c1
InChIInChI=1S/C10H7NO3/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyZORDTEILMAWXLV-UHFFFAOYSA-N
XLogP2.41
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

naphthalen-2-yl 2-nitroacetate
CID 139660327
phenyl nitrate;hydrate
CID 175136027
CID 174322695
CID 174322695
naphthalen-2-yl 3-nitrobenzoate
CID 591453
sodium naphthalen-2-yl hydrogen phosphate
CID 23700943
hydroxy-naphthalen-2-yloxy-oxophosphanium
CID 13310565
naphthalen-2-ol;nitrobenzene
CID 163774452
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
naphthalen-2-yl sulfite;nickel
CID 175470148
2-(1-nitroprop-1-enyl)naphthalene
CID 159063148
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
dinaphthalen-2-ylmethanone
CID 10945915

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl nitrate?
The IUPAC name of naphthalen-2-yl nitrate (CID 13161391) is naphthalen-2-yl nitrate.
What is the SMILES notation for naphthalen-2-yl nitrate?
The canonical SMILES for naphthalen-2-yl nitrate is O=[N+]([O-])Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl nitrate?
The InChIKey is ZORDTEILMAWXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of naphthalen-2-yl nitrate?
naphthalen-2-yl nitrate has a molecular weight of 189.17 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl nitrate is sourced from PubChem (CID 13161391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).