6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole

C14H12BrN3 — CID 118664223

IUPAC6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole
SMILESCc1ccc(-n2ncc3ccc(Br)cc32)nc1C
InChIInChI=1S/C14H12BrN3/c1-9-3-6-14(17-10(9)2)18-13-7-12(15)5-4-11(13)8-16-18/h3-8H,1-2H3
InChIKeyKSMYHCQTNLONRW-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.80
Rot. Bonds1

About 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole

6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole (PubChem CID 118664223) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole
PubChem CID118664223
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole
SMILESCc1ccc(-n2ncc3ccc(Br)cc32)nc1C
InChIInChI=1S/C14H12BrN3/c1-9-3-6-14(17-10(9)2)18-13-7-12(15)5-4-11(13)8-16-18/h3-8H,1-2H3
InChIKeyKSMYHCQTNLONRW-UHFFFAOYSA-N
XLogP3.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole?
The IUPAC name of 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole (CID 118664223) is 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole.
What is the SMILES notation for 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole?
The canonical SMILES for 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole is Cc1ccc(-n2ncc3ccc(Br)cc32)nc1C.
What is the InChIKey of 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole?
The InChIKey is KSMYHCQTNLONRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-3-6-14(17-10(9)2)18-13-7-12(15)5-4-11(13)8-16-18/h3-8H,1-2H3.
What are the key properties of 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole?
6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole has a molecular weight of 302.18 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(5,6-dimethyl-2-pyridinyl)indazole is sourced from PubChem (CID 118664223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).