CID 144908474

C7H6AlBrN2O2 — CID 144908474

IUPAC—
SMILESO=C(NC[Al])c1cc(Br)c[nH]c1=O
InChIInChI=1S/C7H6BrN2O2.Al/c1-9-6(11)5-2-4(8)3-10-7(5)12;/h2-3H,1H2,(H,9,11)(H,10,12);
InChIKeyKJTWRWYUEYRRFJ-UHFFFAOYSA-N
MW257.02 g/mol
LogP-0.01
Rot. Bonds2

About CID 144908474

CID 144908474 (PubChem CID 144908474) has the molecular formula C7H6AlBrN2O2 and a molecular weight of 257.02 g/mol.

Molecular Properties

Compound NameCID 144908474
PubChem CID144908474
Molecular FormulaC7H6AlBrN2O2
Molecular Weight257.02 g/mol
Exact Mass255.94
IUPAC Name—
SMILESO=C(NC[Al])c1cc(Br)c[nH]c1=O
InChIInChI=1S/C7H6BrN2O2.Al/c1-9-6(11)5-2-4(8)3-10-7(5)12;/h2-3H,1H2,(H,9,11)(H,10,12);
InChIKeyKJTWRWYUEYRRFJ-UHFFFAOYSA-N
XLogP-0.01
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.02
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 144908474?
The IUPAC name of CID 144908474 (CID 144908474) is not available.
What is the SMILES notation for CID 144908474?
The canonical SMILES for CID 144908474 is O=C(NC[Al])c1cc(Br)c[nH]c1=O.
What is the InChIKey of CID 144908474?
The InChIKey is KJTWRWYUEYRRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN2O2.Al/c1-9-6(11)5-2-4(8)3-10-7(5)12;/h2-3H,1H2,(H,9,11)(H,10,12);.
What are the key properties of CID 144908474?
CID 144908474 has a molecular weight of 257.02 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144908474 is sourced from PubChem (CID 144908474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).