5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine

C11H10BrClN4O2 — CID 175172656

IUPAC5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine
SMILESNNc1ccnc(Cl)n1.O=Cc1cc(Br)ccc1O
InChIInChI=1S/C7H5BrO2.C4H5ClN4/c8-6-1-2-7(10)5(3-6)4-9;5-4-7-2-1-3(8-4)9-6/h1-4,10H;1-2H,6H2,(H,7,8,9)
InChIKeyISYAQPYRIYYGKC-UHFFFAOYSA-N
MW345.58 g/mol
LogP2.38
Rot. Bonds2

About 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine

5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine (PubChem CID 175172656) has the molecular formula C11H10BrClN4O2 and a molecular weight of 345.58 g/mol. Its IUPAC name is 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine
PubChem CID175172656
Molecular FormulaC11H10BrClN4O2
Molecular Weight345.58 g/mol
Exact Mass343.97
IUPAC Name5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine
SMILESNNc1ccnc(Cl)n1.O=Cc1cc(Br)ccc1O
InChIInChI=1S/C7H5BrO2.C4H5ClN4/c8-6-1-2-7(10)5(3-6)4-9;5-4-7-2-1-3(8-4)9-6/h1-4,10H;1-2H,6H2,(H,7,8,9)
InChIKeyISYAQPYRIYYGKC-UHFFFAOYSA-N
XLogP2.38
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine?
The IUPAC name of 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine (CID 175172656) is 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine.
What is the SMILES notation for 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine?
The canonical SMILES for 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine is NNc1ccnc(Cl)n1.O=Cc1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine?
The InChIKey is ISYAQPYRIYYGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2.C4H5ClN4/c8-6-1-2-7(10)5(3-6)4-9;5-4-7-2-1-3(8-4)9-6/h1-4,10H;1-2H,6H2,(H,7,8,9).
What are the key properties of 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine?
5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine has a molecular weight of 345.58 g/mol, XLogP of 2.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxybenzaldehyde;(2-chloropyrimidin-4-yl)hydrazine is sourced from PubChem (CID 175172656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).