5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

C13H7Cl2N3O3 — CID 2125434

IUPAC5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=C(c1cnc2[nH][nH]c(=O)c2c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H7Cl2N3O3/c14-6-2-7(11(20)9(15)3-6)10(19)5-1-8-12(16-4-5)17-18-13(8)21/h1-4,20H,(H2,16,17,18,21)
InChIKeyPRLDHJWTXXJFBK-UHFFFAOYSA-N
MW324.12 g/mol
LogP2.49
Rot. Bonds2

About 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 2125434) has the molecular formula C13H7Cl2N3O3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
PubChem CID2125434
Molecular FormulaC13H7Cl2N3O3
Molecular Weight324.12 g/mol
Exact Mass322.99
IUPAC Name5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=C(c1cnc2[nH][nH]c(=O)c2c1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H7Cl2N3O3/c14-6-2-7(11(20)9(15)3-6)10(19)5-1-8-12(16-4-5)17-18-13(8)21/h1-4,20H,(H2,16,17,18,21)
InChIKeyPRLDHJWTXXJFBK-UHFFFAOYSA-N
XLogP2.49
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (CID 2125434) is 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is O=C(c1cnc2[nH][nH]c(=O)c2c1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is PRLDHJWTXXJFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O3/c14-6-2-7(11(20)9(15)3-6)10(19)5-1-8-12(16-4-5)17-18-13(8)21/h1-4,20H,(H2,16,17,18,21).
What are the key properties of 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 324.12 g/mol, XLogP of 2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-hydroxybenzoyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 2125434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).