(7-bromo-1-benzofuran-5-yl)carbamic acid

C9H6BrNO3 — CID 139560233

IUPAC(7-bromo-1-benzofuran-5-yl)carbamic acid
SMILESO=C(O)Nc1cc(Br)c2occc2c1
InChIInChI=1S/C9H6BrNO3/c10-7-4-6(11-9(12)13)3-5-1-2-14-8(5)7/h1-4,11H,(H,12,13)
InChIKeyRQYDQULLONGEMR-UHFFFAOYSA-N
MW256.06 g/mol
LogP3.29
Rot. Bonds1

About (7-bromo-1-benzofuran-5-yl)carbamic acid

(7-bromo-1-benzofuran-5-yl)carbamic acid (PubChem CID 139560233) has the molecular formula C9H6BrNO3 and a molecular weight of 256.06 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-5-yl)carbamic acid.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-5-yl)carbamic acid
PubChem CID139560233
Molecular FormulaC9H6BrNO3
Molecular Weight256.06 g/mol
Exact Mass254.95
IUPAC Name(7-bromo-1-benzofuran-5-yl)carbamic acid
SMILESO=C(O)Nc1cc(Br)c2occc2c1
InChIInChI=1S/C9H6BrNO3/c10-7-4-6(11-9(12)13)3-5-1-2-14-8(5)7/h1-4,11H,(H,12,13)
InChIKeyRQYDQULLONGEMR-UHFFFAOYSA-N
XLogP3.29
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (7-bromo-1-benzofuran-5-yl)carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-5-yl)carbamic acid?
The IUPAC name of (7-bromo-1-benzofuran-5-yl)carbamic acid (CID 139560233) is (7-bromo-1-benzofuran-5-yl)carbamic acid.
What is the SMILES notation for (7-bromo-1-benzofuran-5-yl)carbamic acid?
The canonical SMILES for (7-bromo-1-benzofuran-5-yl)carbamic acid is O=C(O)Nc1cc(Br)c2occc2c1.
What is the InChIKey of (7-bromo-1-benzofuran-5-yl)carbamic acid?
The InChIKey is RQYDQULLONGEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO3/c10-7-4-6(11-9(12)13)3-5-1-2-14-8(5)7/h1-4,11H,(H,12,13).
What are the key properties of (7-bromo-1-benzofuran-5-yl)carbamic acid?
(7-bromo-1-benzofuran-5-yl)carbamic acid has a molecular weight of 256.06 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-5-yl)carbamic acid is sourced from PubChem (CID 139560233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).