6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C10H10BrNO3 — CID 102567999

IUPAC6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(Br)ccc2O1
InChIInChI=1S/C10H10BrNO3/c11-7-2-4-8-6(5-7)1-3-9(15-8)10(13)12-14/h2,4-5,9,14H,1,3H2,(H,12,13)
InChIKeyYSRZXCMTULHXRI-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.65
Rot. Bonds1

About 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 102567999) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID102567999
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(Br)ccc2O1
InChIInChI=1S/C10H10BrNO3/c11-7-2-4-8-6(5-7)1-3-9(15-8)10(13)12-14/h2,4-5,9,14H,1,3H2,(H,12,13)
InChIKeyYSRZXCMTULHXRI-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 102567999) is 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NO)C1CCc2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is YSRZXCMTULHXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-7-2-4-8-6(5-7)1-3-9(15-8)10(13)12-14/h2,4-5,9,14H,1,3H2,(H,12,13).
What are the key properties of 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?
6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 272.10 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 102567999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).