benzene-1,4-diamine;2-hydroxybenzoic acid

C13H14N2O3 — CID 162016766

IUPACbenzene-1,4-diamine;2-hydroxybenzoic acid
SMILESNc1ccc(N)cc1.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H8N2/c8-6-4-2-1-3-5(6)7(9)10;7-5-1-2-6(8)4-3-5/h1-4,8H,(H,9,10);1-4H,7-8H2
InChIKeyYUFBQZKYFJHPBC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.94
Rot. Bonds1

About benzene-1,4-diamine;2-hydroxybenzoic acid

benzene-1,4-diamine;2-hydroxybenzoic acid (PubChem CID 162016766) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is benzene-1,4-diamine;2-hydroxybenzoic acid.

Molecular Properties

Compound Namebenzene-1,4-diamine;2-hydroxybenzoic acid
PubChem CID162016766
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namebenzene-1,4-diamine;2-hydroxybenzoic acid
SMILESNc1ccc(N)cc1.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C6H8N2/c8-6-4-2-1-3-5(6)7(9)10;7-5-1-2-6(8)4-3-5/h1-4,8H,(H,9,10);1-4H,7-8H2
InChIKeyYUFBQZKYFJHPBC-UHFFFAOYSA-N
XLogP1.94
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-aminophenol;2-hydroxybenzoic acid
CID 69191673
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
2-hydroxybenzoic acid;molecular hydrogen
CID 143717517
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diamine;2-hydroxybenzoic acid?
The IUPAC name of benzene-1,4-diamine;2-hydroxybenzoic acid (CID 162016766) is benzene-1,4-diamine;2-hydroxybenzoic acid.
What is the SMILES notation for benzene-1,4-diamine;2-hydroxybenzoic acid?
The canonical SMILES for benzene-1,4-diamine;2-hydroxybenzoic acid is Nc1ccc(N)cc1.O=C(O)c1ccccc1O.
What is the InChIKey of benzene-1,4-diamine;2-hydroxybenzoic acid?
The InChIKey is YUFBQZKYFJHPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C6H8N2/c8-6-4-2-1-3-5(6)7(9)10;7-5-1-2-6(8)4-3-5/h1-4,8H,(H,9,10);1-4H,7-8H2.
What are the key properties of benzene-1,4-diamine;2-hydroxybenzoic acid?
benzene-1,4-diamine;2-hydroxybenzoic acid has a molecular weight of 246.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diamine;2-hydroxybenzoic acid is sourced from PubChem (CID 162016766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).