9-chloro-10-nitroanthracene

C14H8ClNO2 — CID 44718980

IUPAC9-chloro-10-nitroanthracene
SMILESO=[N+]([O-])c1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C14H8ClNO2/c15-13-9-5-1-3-7-11(9)14(16(17)18)12-8-4-2-6-10(12)13/h1-8H
InChIKeyDUOSABFMBRDXJW-UHFFFAOYSA-N
MW257.68 g/mol
LogP4.55
Rot. Bonds1

About 9-chloro-10-nitroanthracene

9-chloro-10-nitroanthracene (PubChem CID 44718980) has the molecular formula C14H8ClNO2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 9-chloro-10-nitroanthracene.

Molecular Properties

Compound Name9-chloro-10-nitroanthracene
PubChem CID44718980
Molecular FormulaC14H8ClNO2
Molecular Weight257.68 g/mol
Exact Mass257.02
IUPAC Name9-chloro-10-nitroanthracene
SMILESO=[N+]([O-])c1c2ccccc2c(Cl)c2ccccc12
InChIInChI=1S/C14H8ClNO2/c15-13-9-5-1-3-7-11(9)14(16(17)18)12-8-4-2-6-10(12)13/h1-8H
InChIKeyDUOSABFMBRDXJW-UHFFFAOYSA-N
XLogP4.55
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 54.55
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-chloro-10-nitroanthracene 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

1,3-dichloro-4-nitroisoquinoline
CID 163932905
9-bromo-10-nitrophenanthrene
CID 5166828
1,2-dichloro-4-nitronaphthalene
CID 154116604
4-chloro-N-methyl-3-nitroquinolin-2-amine
CID 70975596
4-chloro-2-methyl-3-nitroquinoline
CID 12673397
(10-nitroanthracen-9-yl) acetate
CID 177437243
1,2-dichloro-3,4-dinitroanthracene-9,10-dione
CID 21414533
3,4-dinitronaphthalene-1,2-disulfonic acid
CID 21395915
1,2,3-trinitronaphthalene
CID 22719066
2-(1-nitronaphthalen-2-yl)ethanol
CID 121008268
1-chloro-3-nitronaphthalene
CID 13462997
4-chloro-3-nitro-1-phenyl-1,8-naphthyridin-2-one
CID 15665361

Frequently Asked Questions

What is the IUPAC name of 9-chloro-10-nitroanthracene?
The IUPAC name of 9-chloro-10-nitroanthracene (CID 44718980) is 9-chloro-10-nitroanthracene.
What is the SMILES notation for 9-chloro-10-nitroanthracene?
The canonical SMILES for 9-chloro-10-nitroanthracene is O=[N+]([O-])c1c2ccccc2c(Cl)c2ccccc12.
What is the InChIKey of 9-chloro-10-nitroanthracene?
The InChIKey is DUOSABFMBRDXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2/c15-13-9-5-1-3-7-11(9)14(16(17)18)12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of 9-chloro-10-nitroanthracene?
9-chloro-10-nitroanthracene has a molecular weight of 257.68 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-10-nitroanthracene is sourced from PubChem (CID 44718980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).