2-hydroxybenzoic acid;quinoline

C16H13NO3 — CID 67333589

IUPAC2-hydroxybenzoic acid;quinoline
SMILESO=C(O)c1ccccc1O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H6O3/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-2-1-3-5(6)7(9)10/h1-7H;1-4,8H,(H,9,10)
InChIKeySZSWSPSQJWXNRB-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.33
Rot. Bonds1

About 2-hydroxybenzoic acid;quinoline

2-hydroxybenzoic acid;quinoline (PubChem CID 67333589) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;quinoline.

Molecular Properties

Compound Name2-hydroxybenzoic acid;quinoline
PubChem CID67333589
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-hydroxybenzoic acid;quinoline
SMILESO=C(O)c1ccccc1O.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C7H6O3/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-2-1-3-5(6)7(9)10/h1-7H;1-4,8H,(H,9,10)
InChIKeySZSWSPSQJWXNRB-UHFFFAOYSA-N
XLogP3.33
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;quinoline?
The IUPAC name of 2-hydroxybenzoic acid;quinoline (CID 67333589) is 2-hydroxybenzoic acid;quinoline.
What is the SMILES notation for 2-hydroxybenzoic acid;quinoline?
The canonical SMILES for 2-hydroxybenzoic acid;quinoline is O=C(O)c1ccccc1O.c1ccc2ncccc2c1.
What is the InChIKey of 2-hydroxybenzoic acid;quinoline?
The InChIKey is SZSWSPSQJWXNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C7H6O3/c1-2-6-9-8(4-1)5-3-7-10-9;8-6-4-2-1-3-5(6)7(9)10/h1-7H;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;quinoline?
2-hydroxybenzoic acid;quinoline has a molecular weight of 267.28 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;quinoline is sourced from PubChem (CID 67333589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).