3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole

C14H10ClFN2O — CID 175462145

IUPAC3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole
SMILESCOc1cc(-n2nc(Cl)c3ccccc32)ccc1F
InChIInChI=1S/C14H10ClFN2O/c1-19-13-8-9(6-7-11(13)16)18-12-5-3-2-4-10(12)14(15)17-18/h2-8H,1H3
InChIKeyHXMJCQQAYRIFOT-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.83
Rot. Bonds2

About 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole

3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole (PubChem CID 175462145) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole.

Molecular Properties

Compound Name3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole
PubChem CID175462145
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole
SMILESCOc1cc(-n2nc(Cl)c3ccccc32)ccc1F
InChIInChI=1S/C14H10ClFN2O/c1-19-13-8-9(6-7-11(13)16)18-12-5-3-2-4-10(12)14(15)17-18/h2-8H,1H3
InChIKeyHXMJCQQAYRIFOT-UHFFFAOYSA-N
XLogP3.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole?
The IUPAC name of 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole (CID 175462145) is 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole.
What is the SMILES notation for 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole?
The canonical SMILES for 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole is COc1cc(-n2nc(Cl)c3ccccc32)ccc1F.
What is the InChIKey of 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole?
The InChIKey is HXMJCQQAYRIFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c1-19-13-8-9(6-7-11(13)16)18-12-5-3-2-4-10(12)14(15)17-18/h2-8H,1H3.
What are the key properties of 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole?
3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole has a molecular weight of 276.70 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-fluoro-3-methoxyphenyl)indazole is sourced from PubChem (CID 175462145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).