(6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid

C10H8BrF3N4O2 — CID 87110672

IUPAC(6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid
SMILESO=C(O)N(CCC(F)(F)F)c1cc(Br)nn2ccnc12
InChIInChI=1S/C10H8BrF3N4O2/c11-7-5-6(8-15-2-4-18(8)16-7)17(9(19)20)3-1-10(12,13)14/h2,4-5H,1,3H2,(H,19,20)
InChIKeyDNGGUHHNHNCWKY-UHFFFAOYSA-N
MW353.10 g/mol
LogP2.93
Rot. Bonds3

About (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid

(6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid (PubChem CID 87110672) has the molecular formula C10H8BrF3N4O2 and a molecular weight of 353.10 g/mol. Its IUPAC name is (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid.

Molecular Properties

Compound Name(6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid
PubChem CID87110672
Molecular FormulaC10H8BrF3N4O2
Molecular Weight353.10 g/mol
Exact Mass351.98
IUPAC Name(6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid
SMILESO=C(O)N(CCC(F)(F)F)c1cc(Br)nn2ccnc12
InChIInChI=1S/C10H8BrF3N4O2/c11-7-5-6(8-15-2-4-18(8)16-7)17(9(19)20)3-1-10(12,13)14/h2,4-5H,1,3H2,(H,19,20)
InChIKeyDNGGUHHNHNCWKY-UHFFFAOYSA-N
XLogP2.93
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.10
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid?
The IUPAC name of (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid (CID 87110672) is (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid.
What is the SMILES notation for (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid?
The canonical SMILES for (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid is O=C(O)N(CCC(F)(F)F)c1cc(Br)nn2ccnc12.
What is the InChIKey of (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid?
The InChIKey is DNGGUHHNHNCWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N4O2/c11-7-5-6(8-15-2-4-18(8)16-7)17(9(19)20)3-1-10(12,13)14/h2,4-5H,1,3H2,(H,19,20).
What are the key properties of (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid?
(6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid has a molecular weight of 353.10 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoimidazo[1,2-b]pyridazin-8-yl)-(3,3,3-trifluoropropyl)carbamic acid is sourced from PubChem (CID 87110672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).