5-chloro-2-(3-methoxyphenyl)indazole

C14H11ClN2O — CID 135038202

IUPAC5-chloro-2-(3-methoxyphenyl)indazole
SMILESCOc1cccc(-n2cc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C14H11ClN2O/c1-18-13-4-2-3-12(8-13)17-9-10-7-11(15)5-6-14(10)16-17/h2-9H,1H3
InChIKeyMDVVJDRLKFJSTA-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.69
Rot. Bonds2

About 5-chloro-2-(3-methoxyphenyl)indazole

5-chloro-2-(3-methoxyphenyl)indazole (PubChem CID 135038202) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-2-(3-methoxyphenyl)indazole.

Molecular Properties

Compound Name5-chloro-2-(3-methoxyphenyl)indazole
PubChem CID135038202
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name5-chloro-2-(3-methoxyphenyl)indazole
SMILESCOc1cccc(-n2cc3cc(Cl)ccc3n2)c1
InChIInChI=1S/C14H11ClN2O/c1-18-13-4-2-3-12(8-13)17-9-10-7-11(15)5-6-14(10)16-17/h2-9H,1H3
InChIKeyMDVVJDRLKFJSTA-UHFFFAOYSA-N
XLogP3.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methoxyphenyl)indazole?
The IUPAC name of 5-chloro-2-(3-methoxyphenyl)indazole (CID 135038202) is 5-chloro-2-(3-methoxyphenyl)indazole.
What is the SMILES notation for 5-chloro-2-(3-methoxyphenyl)indazole?
The canonical SMILES for 5-chloro-2-(3-methoxyphenyl)indazole is COc1cccc(-n2cc3cc(Cl)ccc3n2)c1.
What is the InChIKey of 5-chloro-2-(3-methoxyphenyl)indazole?
The InChIKey is MDVVJDRLKFJSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-18-13-4-2-3-12(8-13)17-9-10-7-11(15)5-6-14(10)16-17/h2-9H,1H3.
What are the key properties of 5-chloro-2-(3-methoxyphenyl)indazole?
5-chloro-2-(3-methoxyphenyl)indazole has a molecular weight of 258.71 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methoxyphenyl)indazole is sourced from PubChem (CID 135038202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).