[2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol

C8H8ClN3O — CID 139488317

IUPAC[2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol
SMILESOCc1ccnn2cc(CCl)nc12
InChIInChI=1S/C8H8ClN3O/c9-3-7-4-12-8(11-7)6(5-13)1-2-10-12/h1-2,4,13H,3,5H2
InChIKeyHSTUBELKHQCKFJ-UHFFFAOYSA-N
MW197.62 g/mol
LogP0.96
Rot. Bonds2

About [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol

[2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol (PubChem CID 139488317) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol.

Molecular Properties

Compound Name[2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol
PubChem CID139488317
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name[2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol
SMILESOCc1ccnn2cc(CCl)nc12
InChIInChI=1S/C8H8ClN3O/c9-3-7-4-12-8(11-7)6(5-13)1-2-10-12/h1-2,4,13H,3,5H2
InChIKeyHSTUBELKHQCKFJ-UHFFFAOYSA-N
XLogP0.96
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 42609596
CID 42609596
CID 57352521
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CID 10922198
CID 10922198
CID 19735680
CID 19735680
CID 71744071
CID 71744071
CID 83675400
CID 83675400
CID 117711609
CID 117711609
CID 122538388
CID 122538388
CID 122620827
CID 122620827
CID 122622072
CID 122622072
CID 123558866
CID 123558866
CID 126963688
CID 126963688

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol?
The IUPAC name of [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol (CID 139488317) is [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol.
What is the SMILES notation for [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol?
The canonical SMILES for [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol is OCc1ccnn2cc(CCl)nc12.
What is the InChIKey of [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol?
The InChIKey is HSTUBELKHQCKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-3-7-4-12-8(11-7)6(5-13)1-2-10-12/h1-2,4,13H,3,5H2.
What are the key properties of [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol?
[2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol has a molecular weight of 197.62 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)imidazo[1,2-b]pyridazin-8-yl]methanol is sourced from PubChem (CID 139488317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).