6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile

C11H10BrNO — CID 63632235

IUPAC6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H10BrNO/c12-10-2-1-9-6-11(14,7-13)4-3-8(9)5-10/h1-2,5,14H,3-4,6H2
InChIKeyUXYAXUXJPUMDIP-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.19
Rot. Bonds

About 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile

6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile (PubChem CID 63632235) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
PubChem CID63632235
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
SMILESN#CC1(O)CCc2cc(Br)ccc2C1
InChIInChI=1S/C11H10BrNO/c12-10-2-1-9-6-11(14,7-13)4-3-8(9)5-10/h1-2,5,14H,3-4,6H2
InChIKeyUXYAXUXJPUMDIP-UHFFFAOYSA-N
XLogP2.19
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The IUPAC name of 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile (CID 63632235) is 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile.
What is the SMILES notation for 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The canonical SMILES for 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile is N#CC1(O)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
The InChIKey is UXYAXUXJPUMDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-10-2-1-9-6-11(14,7-13)4-3-8(9)5-10/h1-2,5,14H,3-4,6H2.
What are the key properties of 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile?
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile has a molecular weight of 252.11 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile is sourced from PubChem (CID 63632235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).