6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one

C6H4ClN3O — CID 136650479

IUPAC6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one
SMILESO=c1[nH]c(Cl)cc2[nH]ncc12
InChIInChI=1S/C6H4ClN3O/c7-5-1-4-3(2-8-10-4)6(11)9-5/h1-2H,(H,8,10)(H,9,11)
InChIKeyDPWDJJLIVNWYCA-UHFFFAOYSA-N
MW169.57 g/mol
LogP0.90
Rot. Bonds

About 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one

6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one (PubChem CID 136650479) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one
PubChem CID136650479
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Name6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one
SMILESO=c1[nH]c(Cl)cc2[nH]ncc12
InChIInChI=1S/C6H4ClN3O/c7-5-1-4-3(2-8-10-4)6(11)9-5/h1-2H,(H,8,10)(H,9,11)
InChIKeyDPWDJJLIVNWYCA-UHFFFAOYSA-N
XLogP0.90
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-amino-1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-one
CID 136175087
1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
CID 12240775
6-Methyl-1h-pyrazolo[4,3-c]pyridin-4(5h)-one
CID 136025892
N-(1-chlorocyclohexa-2,4-dien-1-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 140158465
5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one
CID 164917381
5-methyl-1H-pyrazolo[4,5-d]pyridazin-4-one
CID 14969910
N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61693281
1h-Pyrazolo[4,3-c]pyridin-4-ol
CID 135741683
6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-dihydropyrazolo[4,5-c]pyridin-4-one
CID 135749066
7-Bromo-1,5-dihydropyrazolo[4,3-c]pyridin-4-one
CID 136314421
6-Chloro-1-methyl-1,5-dihydro-pyrazolo[4,3-c]pyridin-4-one
CID 136338044
2-hydroxy-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137277723

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one (CID 136650479) is 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one is O=c1[nH]c(Cl)cc2[nH]ncc12.
What is the InChIKey of 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one?
The InChIKey is DPWDJJLIVNWYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O/c7-5-1-4-3(2-8-10-4)6(11)9-5/h1-2H,(H,8,10)(H,9,11).
What are the key properties of 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one?
6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one has a molecular weight of 169.57 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,5-dihydropyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 136650479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).