aniline;2-hydroxybenzaldehyde

C13H13NO2 — CID 159847329

IUPACaniline;2-hydroxybenzaldehyde
SMILESNc1ccccc1.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H7N/c8-5-6-3-1-2-4-7(6)9;7-6-4-2-1-3-5-6/h1-5,9H;1-5H,7H2
InChIKeyNPMALLPLXOKHGU-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.47
Rot. Bonds1

About aniline;2-hydroxybenzaldehyde

aniline;2-hydroxybenzaldehyde (PubChem CID 159847329) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is aniline;2-hydroxybenzaldehyde.

Molecular Properties

Compound Nameaniline;2-hydroxybenzaldehyde
PubChem CID159847329
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nameaniline;2-hydroxybenzaldehyde
SMILESNc1ccccc1.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H7N/c8-5-6-3-1-2-4-7(6)9;7-6-4-2-1-3-5-6/h1-5,9H;1-5H,7H2
InChIKeyNPMALLPLXOKHGU-UHFFFAOYSA-N
XLogP2.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 158421076
CID 158421076
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187
2,5-dihydroxyterephthalaldehyde;4-phenylaniline
CID 175152805
disodium;2-hydroxybenzaldehyde;sulfite
CID 21115552
2-hydroxybenzaldehyde;2-methoxyaniline
CID 174410348
2-hydroxybenzaldehyde;5-phenylbenzene-1,2,3,4-tetrol
CID 175399417

Frequently Asked Questions

What is the IUPAC name of aniline;2-hydroxybenzaldehyde?
The IUPAC name of aniline;2-hydroxybenzaldehyde (CID 159847329) is aniline;2-hydroxybenzaldehyde.
What is the SMILES notation for aniline;2-hydroxybenzaldehyde?
The canonical SMILES for aniline;2-hydroxybenzaldehyde is Nc1ccccc1.O=Cc1ccccc1O.
What is the InChIKey of aniline;2-hydroxybenzaldehyde?
The InChIKey is NPMALLPLXOKHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H7N/c8-5-6-3-1-2-4-7(6)9;7-6-4-2-1-3-5-6/h1-5,9H;1-5H,7H2.
What are the key properties of aniline;2-hydroxybenzaldehyde?
aniline;2-hydroxybenzaldehyde has a molecular weight of 215.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-hydroxybenzaldehyde is sourced from PubChem (CID 159847329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).