6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole

C15H14BrN3 — CID 118663974

IUPAC6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole
SMILESCC(C)c1cccc(-n2cc3ccc(Br)cc3n2)n1
InChIInChI=1S/C15H14BrN3/c1-10(2)13-4-3-5-15(17-13)19-9-11-6-7-12(16)8-14(11)18-19/h3-10H,1-2H3
InChIKeyBDUDPZJBMSEWET-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.31
Rot. Bonds2

About 6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole

6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole (PubChem CID 118663974) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole.

Molecular Properties

Compound Name6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole
PubChem CID118663974
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole
SMILESCC(C)c1cccc(-n2cc3ccc(Br)cc3n2)n1
InChIInChI=1S/C15H14BrN3/c1-10(2)13-4-3-5-15(17-13)19-9-11-6-7-12(16)8-14(11)18-19/h3-10H,1-2H3
InChIKeyBDUDPZJBMSEWET-UHFFFAOYSA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.31
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-propan-2-yl-2-pyridinyl)indazole?
The IUPAC name of 6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole (CID 118663974) is 6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole.
What is the SMILES notation for 6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole?
The canonical SMILES for 6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole is CC(C)c1cccc(-n2cc3ccc(Br)cc3n2)n1.
What is the InChIKey of 6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole?
The InChIKey is BDUDPZJBMSEWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-10(2)13-4-3-5-15(17-13)19-9-11-6-7-12(16)8-14(11)18-19/h3-10H,1-2H3.
What are the key properties of 6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole?
6-bromo-2-(6-propan-2-yl-2-pyridinyl)indazole has a molecular weight of 316.20 g/mol, XLogP of 4.31, 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-propan-2-yl-2-pyridinyl)indazole is sourced from PubChem (CID 118663974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).