3-bromo-10-fluoropyrimido[1,2-b]indazole

C10H5BrFN3 — CID 162650798

IUPAC3-bromo-10-fluoropyrimido[1,2-b]indazole
SMILESFc1cccc2nn3cc(Br)cnc3c12
InChIInChI=1S/C10H5BrFN3/c11-6-4-13-10-9-7(12)2-1-3-8(9)14-15(10)5-6/h1-5H
InChIKeyMQXWVJKYNMIKFW-UHFFFAOYSA-N
MW266.07 g/mol
LogP2.78
Rot. Bonds

About 3-bromo-10-fluoropyrimido[1,2-b]indazole

3-bromo-10-fluoropyrimido[1,2-b]indazole (PubChem CID 162650798) has the molecular formula C10H5BrFN3 and a molecular weight of 266.07 g/mol. Its IUPAC name is 3-bromo-10-fluoropyrimido[1,2-b]indazole.

Molecular Properties

Compound Name3-bromo-10-fluoropyrimido[1,2-b]indazole
PubChem CID162650798
Molecular FormulaC10H5BrFN3
Molecular Weight266.07 g/mol
Exact Mass264.97
IUPAC Name3-bromo-10-fluoropyrimido[1,2-b]indazole
SMILESFc1cccc2nn3cc(Br)cnc3c12
InChIInChI=1S/C10H5BrFN3/c11-6-4-13-10-9-7(12)2-1-3-8(9)14-15(10)5-6/h1-5H
InChIKeyMQXWVJKYNMIKFW-UHFFFAOYSA-N
XLogP2.78
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.07
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-10-fluoropyrimido[1,2-b]indazole?
The IUPAC name of 3-bromo-10-fluoropyrimido[1,2-b]indazole (CID 162650798) is 3-bromo-10-fluoropyrimido[1,2-b]indazole.
What is the SMILES notation for 3-bromo-10-fluoropyrimido[1,2-b]indazole?
The canonical SMILES for 3-bromo-10-fluoropyrimido[1,2-b]indazole is Fc1cccc2nn3cc(Br)cnc3c12.
What is the InChIKey of 3-bromo-10-fluoropyrimido[1,2-b]indazole?
The InChIKey is MQXWVJKYNMIKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFN3/c11-6-4-13-10-9-7(12)2-1-3-8(9)14-15(10)5-6/h1-5H.
What are the key properties of 3-bromo-10-fluoropyrimido[1,2-b]indazole?
3-bromo-10-fluoropyrimido[1,2-b]indazole has a molecular weight of 266.07 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10-fluoropyrimido[1,2-b]indazole is sourced from PubChem (CID 162650798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).