benzene-1,2-diamine;2-hydroxybenzaldehyde

C13H14N2O2 — CID 22463498

IUPACbenzene-1,2-diamine;2-hydroxybenzaldehyde
SMILESNc1ccccc1N.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H8N2/c8-5-6-3-1-2-4-7(6)9;7-5-3-1-2-4-6(5)8/h1-5,9H;1-4H,7-8H2
InChIKeyTUVOSPHGHDSGCI-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.06
Rot. Bonds1

About benzene-1,2-diamine;2-hydroxybenzaldehyde

benzene-1,2-diamine;2-hydroxybenzaldehyde (PubChem CID 22463498) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is benzene-1,2-diamine;2-hydroxybenzaldehyde.

Molecular Properties

Compound Namebenzene-1,2-diamine;2-hydroxybenzaldehyde
PubChem CID22463498
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namebenzene-1,2-diamine;2-hydroxybenzaldehyde
SMILESNc1ccccc1N.O=Cc1ccccc1O
InChIInChI=1S/C7H6O2.C6H8N2/c8-5-6-3-1-2-4-7(6)9;7-5-3-1-2-4-6(5)8/h1-5,9H;1-4H,7-8H2
InChIKeyTUVOSPHGHDSGCI-UHFFFAOYSA-N
XLogP2.06
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;methanamine
CID 174602056
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
aniline;2-hydroxybenzaldehyde
CID 159847329
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
2-hydroxybenzaldehyde;2-methoxyaniline
CID 174410348
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
CID 175387187
disodium;2-hydroxybenzaldehyde;sulfite
CID 21115552
2-hydroxybenzaldehyde;2-methylaniline;2-[(2-methylphenyl)iminomethyl]phenol
CID 162196265
2-aminobenzaldehyde;ethane-1,2-diamine;nickel
CID 87671040

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;2-hydroxybenzaldehyde?
The IUPAC name of benzene-1,2-diamine;2-hydroxybenzaldehyde (CID 22463498) is benzene-1,2-diamine;2-hydroxybenzaldehyde.
What is the SMILES notation for benzene-1,2-diamine;2-hydroxybenzaldehyde?
The canonical SMILES for benzene-1,2-diamine;2-hydroxybenzaldehyde is Nc1ccccc1N.O=Cc1ccccc1O.
What is the InChIKey of benzene-1,2-diamine;2-hydroxybenzaldehyde?
The InChIKey is TUVOSPHGHDSGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C6H8N2/c8-5-6-3-1-2-4-7(6)9;7-5-3-1-2-4-6(5)8/h1-5,9H;1-4H,7-8H2.
What are the key properties of benzene-1,2-diamine;2-hydroxybenzaldehyde?
benzene-1,2-diamine;2-hydroxybenzaldehyde has a molecular weight of 230.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;2-hydroxybenzaldehyde is sourced from PubChem (CID 22463498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).