2-(2-nitrophenyl)naphthalene-1-carbaldehyde

C17H11NO3 — CID 10778882

IUPAC2-(2-nitrophenyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2ccccc2[N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C17H11NO3/c19-11-16-13-6-2-1-5-12(13)9-10-14(16)15-7-3-4-8-17(15)18(20)21/h1-11H
InChIKeyZPFGALPEBDAOTQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.23
Rot. Bonds3

About 2-(2-nitrophenyl)naphthalene-1-carbaldehyde

2-(2-nitrophenyl)naphthalene-1-carbaldehyde (PubChem CID 10778882) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(2-nitrophenyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-nitrophenyl)naphthalene-1-carbaldehyde
PubChem CID10778882
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name2-(2-nitrophenyl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(-c2ccccc2[N+](=O)[O-])ccc2ccccc12
InChIInChI=1S/C17H11NO3/c19-11-16-13-6-2-1-5-12(13)9-10-14(16)15-7-3-4-8-17(15)18(20)21/h1-11H
InChIKeyZPFGALPEBDAOTQ-UHFFFAOYSA-N
XLogP4.23
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-nitrophenyl)naphthalene-1-carbaldehyde 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

2-(2-nitrophenyl)naphthalen-1-amine
CID 91493820
2-(2-bromophenyl)naphthalene-1-carbaldehyde
CID 102449578
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
1-nitronaphthalene;hydrate
CID 174470741
2-(2,4-dihydroxyphenyl)naphthalene-1-carbaldehyde
CID 87762112
1-naphthalen-1-yl-2,5-bis(2-nitrophenyl)pyrrole
CID 141232861
4-nitrophenanthrene
CID 139058403
2-(2,5-dichlorophenyl)naphthalene-1-carbaldehyde
CID 89391837
formonitrile;1-nitronaphthalene
CID 174387830
5-fluoro-2-(2-nitronaphthalen-1-yl)benzaldehyde
CID 102106645
1,2,3-trifluoro-4-(2-nitrophenyl)benzene
CID 141419715

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(2-nitrophenyl)naphthalene-1-carbaldehyde (CID 10778882) is 2-(2-nitrophenyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(2-nitrophenyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(2-nitrophenyl)naphthalene-1-carbaldehyde is O=Cc1c(-c2ccccc2[N+](=O)[O-])ccc2ccccc12.
What is the InChIKey of 2-(2-nitrophenyl)naphthalene-1-carbaldehyde?
The InChIKey is ZPFGALPEBDAOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-11-16-13-6-2-1-5-12(13)9-10-14(16)15-7-3-4-8-17(15)18(20)21/h1-11H.
What are the key properties of 2-(2-nitrophenyl)naphthalene-1-carbaldehyde?
2-(2-nitrophenyl)naphthalene-1-carbaldehyde has a molecular weight of 277.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 10778882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).