2-naphthalen-1-yloxy-5-nitrobenzonitrile

C17H10N2O3 — CID 514857

IUPAC2-naphthalen-1-yloxy-5-nitrobenzonitrile
SMILESN#Cc1cc([N+](=O)[O-])ccc1Oc1cccc2ccccc12
InChIInChI=1S/C17H10N2O3/c18-11-13-10-14(19(20)21)8-9-16(13)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H
InChIKeyAEOPMVYKSHXOSS-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.41
Rot. Bonds3

About 2-naphthalen-1-yloxy-5-nitrobenzonitrile

2-naphthalen-1-yloxy-5-nitrobenzonitrile (PubChem CID 514857) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-5-nitrobenzonitrile.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-5-nitrobenzonitrile
PubChem CID514857
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC Name2-naphthalen-1-yloxy-5-nitrobenzonitrile
SMILESN#Cc1cc([N+](=O)[O-])ccc1Oc1cccc2ccccc12
InChIInChI=1S/C17H10N2O3/c18-11-13-10-14(19(20)21)8-9-16(13)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H
InChIKeyAEOPMVYKSHXOSS-UHFFFAOYSA-N
XLogP4.41
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-naphthalen-1-yloxy-5-nitrobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzonitrile, 5-nitro-2-(4-(trifluoromethyl)phenoxy)-
CID 514849
2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 3114320
Methyl 4-nitronaphthyl ether
CID 78613
(4-Nitronaphthalen-1-yl) acetate
CID 14082591
5-Nitro-2-phenoxybenzonitrile
CID 514846
Benzonitrile, 5-nitro-2-(3-(trifluoromethyl)phenoxy)-
CID 514850
Benzonitrile, 5-nitro-2-(2-(trifluoromethyl)phenoxy)-
CID 514851
4H-Naphtho[1,2-b]pyran-3-carbonitrile, 2-amino-4-(4-nitrophenyl)-
CID 2840684
2-(3,4-Difluorophenoxy)-5-nitrobenzonitrile
CID 9195976
2-(2,6-Difluorophenoxy)-5-nitrobenzonitrile
CID 137652393
5-Nitro-2-(2,4,6-trifluorophenoxy)benzonitrile
CID 137658985
Benzonitrile, 2-(4-methoxyphenoxy)-5-nitro-
CID 514843

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-5-nitrobenzonitrile?
The IUPAC name of 2-naphthalen-1-yloxy-5-nitrobenzonitrile (CID 514857) is 2-naphthalen-1-yloxy-5-nitrobenzonitrile.
What is the SMILES notation for 2-naphthalen-1-yloxy-5-nitrobenzonitrile?
The canonical SMILES for 2-naphthalen-1-yloxy-5-nitrobenzonitrile is N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yloxy-5-nitrobenzonitrile?
The InChIKey is AEOPMVYKSHXOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c18-11-13-10-14(19(20)21)8-9-16(13)22-17-7-3-5-12-4-1-2-6-15(12)17/h1-10H.
What are the key properties of 2-naphthalen-1-yloxy-5-nitrobenzonitrile?
2-naphthalen-1-yloxy-5-nitrobenzonitrile has a molecular weight of 290.28 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-5-nitrobenzonitrile is sourced from PubChem (CID 514857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).