3-bromopyrimido[1,2-b]indazole

C10H6BrN3 — CID 162666717

IUPAC3-bromopyrimido[1,2-b]indazole
SMILESBrc1cnc2c3ccccc3nn2c1
InChIInChI=1S/C10H6BrN3/c11-7-5-12-10-8-3-1-2-4-9(8)13-14(10)6-7/h1-6H
InChIKeyJZKCBGXPKXEXNX-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.64
Rot. Bonds

About 3-bromopyrimido[1,2-b]indazole

3-bromopyrimido[1,2-b]indazole (PubChem CID 162666717) has the molecular formula C10H6BrN3 and a molecular weight of 248.08 g/mol. Its IUPAC name is 3-bromopyrimido[1,2-b]indazole.

Molecular Properties

Compound Name3-bromopyrimido[1,2-b]indazole
PubChem CID162666717
Molecular FormulaC10H6BrN3
Molecular Weight248.08 g/mol
Exact Mass246.97
IUPAC Name3-bromopyrimido[1,2-b]indazole
SMILESBrc1cnc2c3ccccc3nn2c1
InChIInChI=1S/C10H6BrN3/c11-7-5-12-10-8-3-1-2-4-9(8)13-14(10)6-7/h1-6H
InChIKeyJZKCBGXPKXEXNX-UHFFFAOYSA-N
XLogP2.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyrimido[1,2-b]indazole?
The IUPAC name of 3-bromopyrimido[1,2-b]indazole (CID 162666717) is 3-bromopyrimido[1,2-b]indazole.
What is the SMILES notation for 3-bromopyrimido[1,2-b]indazole?
The canonical SMILES for 3-bromopyrimido[1,2-b]indazole is Brc1cnc2c3ccccc3nn2c1.
What is the InChIKey of 3-bromopyrimido[1,2-b]indazole?
The InChIKey is JZKCBGXPKXEXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3/c11-7-5-12-10-8-3-1-2-4-9(8)13-14(10)6-7/h1-6H.
What are the key properties of 3-bromopyrimido[1,2-b]indazole?
3-bromopyrimido[1,2-b]indazole has a molecular weight of 248.08 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyrimido[1,2-b]indazole is sourced from PubChem (CID 162666717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).