(6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride

C8H8BrClN2O — CID 119056937

IUPAC(6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nc2ccc(Br)cc2o1
InChIInChI=1S/C8H7BrN2O.ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;/h1-3H,4,10H2;1H
InChIKeySATXUZAJHGQLBG-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.47
Rot. Bonds1

About (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride

(6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride (PubChem CID 119056937) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride
PubChem CID119056937
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name(6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nc2ccc(Br)cc2o1
InChIInChI=1S/C8H7BrN2O.ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;/h1-3H,4,10H2;1H
InChIKeySATXUZAJHGQLBG-UHFFFAOYSA-N
XLogP2.47
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride (CID 119056937) is (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride is Cl.NCc1nc2ccc(Br)cc2o1.
What is the InChIKey of (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride?
The InChIKey is SATXUZAJHGQLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O.ClH/c9-5-1-2-6-7(3-5)12-8(4-10)11-6;/h1-3H,4,10H2;1H.
What are the key properties of (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride?
(6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride has a molecular weight of 263.52 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,3-benzoxazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 119056937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).