2-hydroxybenzaldehyde;pyridine-4-carbohydrazide

C13H13N3O3 — CID 90002677

IUPAC2-hydroxybenzaldehyde;pyridine-4-carbohydrazide
SMILESNNC(=O)c1ccncc1.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H7N3O/c8-5-6-3-1-2-4-7(6)9;7-9-6(10)5-1-3-8-4-2-5/h1-5,9H;1-4H,7H2,(H,9,10)
InChIKeyOGWOMSANEWBACU-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.89
Rot. Bonds2

About 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide

2-hydroxybenzaldehyde;pyridine-4-carbohydrazide (PubChem CID 90002677) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-hydroxybenzaldehyde;pyridine-4-carbohydrazide
PubChem CID90002677
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-hydroxybenzaldehyde;pyridine-4-carbohydrazide
SMILESNNC(=O)c1ccncc1.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H7N3O/c8-5-6-3-1-2-4-7(6)9;7-9-6(10)5-1-3-8-4-2-5/h1-5,9H;1-4H,7H2,(H,9,10)
InChIKeyOGWOMSANEWBACU-UHFFFAOYSA-N
XLogP0.89
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

CID 69045386
CID 69045386
pyridine-4-carbohydrazide;trihydrate;hydrochloride
CID 67630424
molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide
CID 161308535
benzohydrazide;molybdenum
CID 162076561
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187
2-hydroxybenzaldehyde;pyridine-3-carboxylic acid
CID 158573582
ethene;2-hydroxybenzaldehyde
CID 23043417
benzohydrazide;propane
CID 90709051
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide?
The IUPAC name of 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide (CID 90002677) is 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide.
What is the SMILES notation for 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide?
The canonical SMILES for 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide is NNC(=O)c1ccncc1.O=Cc1ccccc1O.
What is the InChIKey of 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide?
The InChIKey is OGWOMSANEWBACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H7N3O/c8-5-6-3-1-2-4-7(6)9;7-9-6(10)5-1-3-8-4-2-5/h1-5,9H;1-4H,7H2,(H,9,10).
What are the key properties of 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide?
2-hydroxybenzaldehyde;pyridine-4-carbohydrazide has a molecular weight of 259.27 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;pyridine-4-carbohydrazide is sourced from PubChem (CID 90002677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).