3,9-dibromopyrimido[1,2-b]indazole

C10H5Br2N3 — CID 162651143

IUPAC3,9-dibromopyrimido[1,2-b]indazole
SMILESBrc1ccc2nn3cc(Br)cnc3c2c1
InChIInChI=1S/C10H5Br2N3/c11-6-1-2-9-8(3-6)10-13-4-7(12)5-15(10)14-9/h1-5H
InChIKeySAXKRNXOODVVAQ-UHFFFAOYSA-N
MW326.98 g/mol
LogP3.41
Rot. Bonds

About 3,9-dibromopyrimido[1,2-b]indazole

3,9-dibromopyrimido[1,2-b]indazole (PubChem CID 162651143) has the molecular formula C10H5Br2N3 and a molecular weight of 326.98 g/mol. Its IUPAC name is 3,9-dibromopyrimido[1,2-b]indazole.

Molecular Properties

Compound Name3,9-dibromopyrimido[1,2-b]indazole
PubChem CID162651143
Molecular FormulaC10H5Br2N3
Molecular Weight326.98 g/mol
Exact Mass324.89
IUPAC Name3,9-dibromopyrimido[1,2-b]indazole
SMILESBrc1ccc2nn3cc(Br)cnc3c2c1
InChIInChI=1S/C10H5Br2N3/c11-6-1-2-9-8(3-6)10-13-4-7(12)5-15(10)14-9/h1-5H
InChIKeySAXKRNXOODVVAQ-UHFFFAOYSA-N
XLogP3.41
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.98
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 23586143
3-(3-Bromobenzyl)-1-Tert-Butyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 24865027
4-(5-bromo-3-pyridyl)-1-ethyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 11667299
AhR agonist 2
CID 163196386
6-Bromo-2-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168290165
(1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-o-tolyl-amine
CID 255410
2-(2-Bromophenyl)[1,2,4]triazolo[1,5-c]quinazoline
CID 19583172
3-(3-Bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 675416
4-[(1E)-{2-[1-(3-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91050334

Frequently Asked Questions

What is the IUPAC name of 3,9-dibromopyrimido[1,2-b]indazole?
The IUPAC name of 3,9-dibromopyrimido[1,2-b]indazole (CID 162651143) is 3,9-dibromopyrimido[1,2-b]indazole.
What is the SMILES notation for 3,9-dibromopyrimido[1,2-b]indazole?
The canonical SMILES for 3,9-dibromopyrimido[1,2-b]indazole is Brc1ccc2nn3cc(Br)cnc3c2c1.
What is the InChIKey of 3,9-dibromopyrimido[1,2-b]indazole?
The InChIKey is SAXKRNXOODVVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2N3/c11-6-1-2-9-8(3-6)10-13-4-7(12)5-15(10)14-9/h1-5H.
What are the key properties of 3,9-dibromopyrimido[1,2-b]indazole?
3,9-dibromopyrimido[1,2-b]indazole has a molecular weight of 326.98 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dibromopyrimido[1,2-b]indazole is sourced from PubChem (CID 162651143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).