8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione

C14H7ClN2O6 — CID 59235909

IUPAC8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione
SMILESNc1ccc(O)c2c1C(=O)c1c(O)c(Cl)cc([N+](=O)[O-])c1C2=O
InChIInChI=1S/C14H7ClN2O6/c15-4-3-6(17(22)23)9-11(12(4)19)13(20)8-5(16)1-2-7(18)10(8)14(9)21/h1-3,18-19H,16H2
InChIKeyZCBPVPXYSKLPIW-UHFFFAOYSA-N
MW334.67 g/mol
LogP2.02
Rot. Bonds1

About 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione

8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione (PubChem CID 59235909) has the molecular formula C14H7ClN2O6 and a molecular weight of 334.67 g/mol. Its IUPAC name is 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione.

Molecular Properties

Compound Name8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione
PubChem CID59235909
Molecular FormulaC14H7ClN2O6
Molecular Weight334.67 g/mol
Exact Mass334.00
IUPAC Name8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione
SMILESNc1ccc(O)c2c1C(=O)c1c(O)c(Cl)cc([N+](=O)[O-])c1C2=O
InChIInChI=1S/C14H7ClN2O6/c15-4-3-6(17(22)23)9-11(12(4)19)13(20)8-5(16)1-2-7(18)10(8)14(9)21/h1-3,18-19H,16H2
InChIKeyZCBPVPXYSKLPIW-UHFFFAOYSA-N
XLogP2.02
TPSA143.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione?
The IUPAC name of 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione (CID 59235909) is 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione.
What is the SMILES notation for 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione?
The canonical SMILES for 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione is Nc1ccc(O)c2c1C(=O)c1c(O)c(Cl)cc([N+](=O)[O-])c1C2=O.
What is the InChIKey of 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione?
The InChIKey is ZCBPVPXYSKLPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2O6/c15-4-3-6(17(22)23)9-11(12(4)19)13(20)8-5(16)1-2-7(18)10(8)14(9)21/h1-3,18-19H,16H2.
What are the key properties of 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione?
8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione has a molecular weight of 334.67 g/mol, XLogP of 2.02, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-chloro-1,5-dihydroxy-4-nitroanthracene-9,10-dione is sourced from PubChem (CID 59235909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).