6-bromo-2-(6-ethyl-2-pyridinyl)indazole

C14H12BrN3 — CID 118663884

IUPAC6-bromo-2-(6-ethyl-2-pyridinyl)indazole
SMILESCCc1cccc(-n2cc3ccc(Br)cc3n2)n1
InChIInChI=1S/C14H12BrN3/c1-2-12-4-3-5-14(16-12)18-9-10-6-7-11(15)8-13(10)17-18/h3-9H,2H2,1H3
InChIKeySXNFQEOHUQFHOL-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.75
Rot. Bonds2

About 6-bromo-2-(6-ethyl-2-pyridinyl)indazole

6-bromo-2-(6-ethyl-2-pyridinyl)indazole (PubChem CID 118663884) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-bromo-2-(6-ethyl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-bromo-2-(6-ethyl-2-pyridinyl)indazole
PubChem CID118663884
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-bromo-2-(6-ethyl-2-pyridinyl)indazole
SMILESCCc1cccc(-n2cc3ccc(Br)cc3n2)n1
InChIInChI=1S/C14H12BrN3/c1-2-12-4-3-5-14(16-12)18-9-10-6-7-11(15)8-13(10)17-18/h3-9H,2H2,1H3
InChIKeySXNFQEOHUQFHOL-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(6-ethyl-2-pyridinyl)indazole?
The IUPAC name of 6-bromo-2-(6-ethyl-2-pyridinyl)indazole (CID 118663884) is 6-bromo-2-(6-ethyl-2-pyridinyl)indazole.
What is the SMILES notation for 6-bromo-2-(6-ethyl-2-pyridinyl)indazole?
The canonical SMILES for 6-bromo-2-(6-ethyl-2-pyridinyl)indazole is CCc1cccc(-n2cc3ccc(Br)cc3n2)n1.
What is the InChIKey of 6-bromo-2-(6-ethyl-2-pyridinyl)indazole?
The InChIKey is SXNFQEOHUQFHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-2-12-4-3-5-14(16-12)18-9-10-6-7-11(15)8-13(10)17-18/h3-9H,2H2,1H3.
What are the key properties of 6-bromo-2-(6-ethyl-2-pyridinyl)indazole?
6-bromo-2-(6-ethyl-2-pyridinyl)indazole has a molecular weight of 302.18 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(6-ethyl-2-pyridinyl)indazole is sourced from PubChem (CID 118663884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).