2-hydroxybenzoic acid;1,10-phenanthroline

C19H14N2O3 — CID 175428113

IUPAC2-hydroxybenzoic acid;1,10-phenanthroline
SMILESO=C(O)c1ccccc1O.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H6O3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-4-2-1-3-5(6)7(9)10/h1-8H;1-4,8H,(H,9,10)
InChIKeyBQNVFLJEMFKIED-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.87
Rot. Bonds1

About 2-hydroxybenzoic acid;1,10-phenanthroline

2-hydroxybenzoic acid;1,10-phenanthroline (PubChem CID 175428113) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;1,10-phenanthroline.

Molecular Properties

Compound Name2-hydroxybenzoic acid;1,10-phenanthroline
PubChem CID175428113
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-hydroxybenzoic acid;1,10-phenanthroline
SMILESO=C(O)c1ccccc1O.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C7H6O3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-4-2-1-3-5(6)7(9)10/h1-8H;1-4,8H,(H,9,10)
InChIKeyBQNVFLJEMFKIED-UHFFFAOYSA-N
XLogP3.87
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;1,10-phenanthroline?
The IUPAC name of 2-hydroxybenzoic acid;1,10-phenanthroline (CID 175428113) is 2-hydroxybenzoic acid;1,10-phenanthroline.
What is the SMILES notation for 2-hydroxybenzoic acid;1,10-phenanthroline?
The canonical SMILES for 2-hydroxybenzoic acid;1,10-phenanthroline is O=C(O)c1ccccc1O.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 2-hydroxybenzoic acid;1,10-phenanthroline?
The InChIKey is BQNVFLJEMFKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C7H6O3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;8-6-4-2-1-3-5(6)7(9)10/h1-8H;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;1,10-phenanthroline?
2-hydroxybenzoic acid;1,10-phenanthroline has a molecular weight of 318.33 g/mol, XLogP of 3.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;1,10-phenanthroline is sourced from PubChem (CID 175428113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).