3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine

C15H13ClN2O3 — CID 67500366

IUPAC3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine
SMILESCc1cnc2n(O)cccc1-2.O=C(O)c1cccc(Cl)c1
InChIInChI=1S/C8H8N2O.C7H5ClO2/c1-6-5-9-8-7(6)3-2-4-10(8)11;8-6-3-1-2-5(4-6)7(9)10/h2-5,11H,1H3;1-4H,(H,9,10)
InChIKeyCRONEMDHCOCQDE-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.57
Rot. Bonds1

About 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine

3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine (PubChem CID 67500366) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine
PubChem CID67500366
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine
SMILESCc1cnc2n(O)cccc1-2.O=C(O)c1cccc(Cl)c1
InChIInChI=1S/C8H8N2O.C7H5ClO2/c1-6-5-9-8-7(6)3-2-4-10(8)11;8-6-3-1-2-5(4-6)7(9)10/h2-5,11H,1H3;1-4H,(H,9,10)
InChIKeyCRONEMDHCOCQDE-UHFFFAOYSA-N
XLogP3.57
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine (CID 67500366) is 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine is Cc1cnc2n(O)cccc1-2.O=C(O)c1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine?
The InChIKey is CRONEMDHCOCQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C7H5ClO2/c1-6-5-9-8-7(6)3-2-4-10(8)11;8-6-3-1-2-5(4-6)7(9)10/h2-5,11H,1H3;1-4H,(H,9,10).
What are the key properties of 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine?
3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine has a molecular weight of 304.73 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzoic acid;7-hydroxy-3-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67500366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).