5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol

C23H17BrN2O3 — CID 67906968

IUPAC5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol
SMILESNc1ccc(Br)c(C(=O)O)c1.Oc1ccc2ccc3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C16H11NO.C7H6BrNO2/c18-11-7-5-10-6-8-13-12-3-1-2-4-15(12)17-16(13)14(10)9-11;8-6-2-1-4(9)3-5(6)7(10)11/h1-9,17-18H;1-3H,9H2,(H,10,11)
InChIKeyONZBSWNSPXUPPY-UHFFFAOYSA-N
MW449.30 g/mol
LogP5.91
Rot. Bonds1

About 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol

5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol (PubChem CID 67906968) has the molecular formula C23H17BrN2O3 and a molecular weight of 449.30 g/mol. Its IUPAC name is 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol.

Molecular Properties

Compound Name5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol
PubChem CID67906968
Molecular FormulaC23H17BrN2O3
Molecular Weight449.30 g/mol
Exact Mass448.04
IUPAC Name5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol
SMILESNc1ccc(Br)c(C(=O)O)c1.Oc1ccc2ccc3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C16H11NO.C7H6BrNO2/c18-11-7-5-10-6-8-13-12-3-1-2-4-15(12)17-16(13)14(10)9-11;8-6-2-1-4(9)3-5(6)7(10)11/h1-9,17-18H;1-3H,9H2,(H,10,11)
InChIKeyONZBSWNSPXUPPY-UHFFFAOYSA-N
XLogP5.91
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.30
LogP ≤ 55.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol?
The IUPAC name of 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol (CID 67906968) is 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol.
What is the SMILES notation for 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol?
The canonical SMILES for 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol is Nc1ccc(Br)c(C(=O)O)c1.Oc1ccc2ccc3c4ccccc4[nH]c3c2c1.
What is the InChIKey of 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol?
The InChIKey is ONZBSWNSPXUPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO.C7H6BrNO2/c18-11-7-5-10-6-8-13-12-3-1-2-4-15(12)17-16(13)14(10)9-11;8-6-2-1-4(9)3-5(6)7(10)11/h1-9,17-18H;1-3H,9H2,(H,10,11).
What are the key properties of 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol?
5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol has a molecular weight of 449.30 g/mol, XLogP of 5.91, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromobenzoic acid;11H-benzo[a]carbazol-2-ol is sourced from PubChem (CID 67906968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).