(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone

C14H8ClF2N3O — CID 90035367

IUPAC(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone
SMILESCc1nc2ccc(Cl)nn2c1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H8ClF2N3O/c1-7-13(20-12(18-7)5-4-11(15)19-20)14(21)9-3-2-8(16)6-10(9)17/h2-6H,1H3
InChIKeyVHMRMKFIYDGJGT-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.20
Rot. Bonds2

About (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone

(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone (PubChem CID 90035367) has the molecular formula C14H8ClF2N3O and a molecular weight of 307.69 g/mol. Its IUPAC name is (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone
PubChem CID90035367
Molecular FormulaC14H8ClF2N3O
Molecular Weight307.69 g/mol
Exact Mass307.03
IUPAC Name(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone
SMILESCc1nc2ccc(Cl)nn2c1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H8ClF2N3O/c1-7-13(20-12(18-7)5-4-11(15)19-20)14(21)9-3-2-8(16)6-10(9)17/h2-6H,1H3
InChIKeyVHMRMKFIYDGJGT-UHFFFAOYSA-N
XLogP3.20
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone (CID 90035367) is (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone is Cc1nc2ccc(Cl)nn2c1C(=O)c1ccc(F)cc1F.
What is the InChIKey of (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone?
The InChIKey is VHMRMKFIYDGJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O/c1-7-13(20-12(18-7)5-4-11(15)19-20)14(21)9-3-2-8(16)6-10(9)17/h2-6H,1H3.
What are the key properties of (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone?
(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone has a molecular weight of 307.69 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 90035367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).