6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one

C13H10ClN3O — CID 83805249

IUPAC6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one
SMILESO=c1c2ccc(Cl)cc2[nH]n1Cc1cccnc1
InChIInChI=1S/C13H10ClN3O/c14-10-3-4-11-12(6-10)16-17(13(11)18)8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKeyJRWXZXXBRXSEOO-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.43
Rot. Bonds2

About 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one

6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one (PubChem CID 83805249) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one.

Molecular Properties

Compound Name6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one
PubChem CID83805249
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one
SMILESO=c1c2ccc(Cl)cc2[nH]n1Cc1cccnc1
InChIInChI=1S/C13H10ClN3O/c14-10-3-4-11-12(6-10)16-17(13(11)18)8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKeyJRWXZXXBRXSEOO-UHFFFAOYSA-N
XLogP2.43
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(pyridin-3-ylmethyl)-1H-indazol-3-one
CID 19805498
7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525205
(2R)-2-(6-chloro-1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetic acid
CID 39047640
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 113208767
4-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid
CID 17221226
4-(4-chloro-2-fluorophenyl)-2-(2-chlorophenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 71557326
6-chloro-1,3-bis(pyridin-3-ylmethyl)pyrimidine-2,4-dione
CID 170005837
8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 66557401
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
tert-butyl N-[3-oxo-2-(pyridin-3-ylmethyl)-1H-indazol-4-yl]carbamate
CID 67902718
3-(2,4-dichlorophenyl)-4-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110568023
7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4902261

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one?
The IUPAC name of 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one (CID 83805249) is 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one.
What is the SMILES notation for 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one?
The canonical SMILES for 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one is O=c1c2ccc(Cl)cc2[nH]n1Cc1cccnc1.
What is the InChIKey of 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one?
The InChIKey is JRWXZXXBRXSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-10-3-4-11-12(6-10)16-17(13(11)18)8-9-2-1-5-15-7-9/h1-7,16H,8H2.
What are the key properties of 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one?
6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one has a molecular weight of 259.70 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(pyridin-3-ylmethyl)-1H-indazol-3-one is sourced from PubChem (CID 83805249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).