4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid

C16H10ClF2N5O4 — CID 159048030

IUPAC4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid
SMILESNC(=O)c1cnn2cc(F)cc2c1Cl.O=C(O)c1c[nH]n2cc(F)cc2c1=O
InChIInChI=1S/C8H5ClFN3O.C8H5FN2O3/c9-7-5(8(11)14)2-12-13-3-4(10)1-6(7)13;9-4-1-6-7(12)5(8(13)14)2-10-11(6)3-4/h1-3H,(H2,11,14);1-3,10H,(H,13,14)
InChIKeyNITWEEGMDMNPDD-UHFFFAOYSA-N
MW409.74 g/mol
LogP1.69
Rot. Bonds2

About 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid

4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 159048030) has the molecular formula C16H10ClF2N5O4 and a molecular weight of 409.74 g/mol. Its IUPAC name is 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID159048030
Molecular FormulaC16H10ClF2N5O4
Molecular Weight409.74 g/mol
Exact Mass409.04
IUPAC Name4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid
SMILESNC(=O)c1cnn2cc(F)cc2c1Cl.O=C(O)c1c[nH]n2cc(F)cc2c1=O
InChIInChI=1S/C8H5ClFN3O.C8H5FN2O3/c9-7-5(8(11)14)2-12-13-3-4(10)1-6(7)13;9-4-1-6-7(12)5(8(13)14)2-10-11(6)3-4/h1-3H,(H2,11,14);1-3,10H,(H,13,14)
InChIKeyNITWEEGMDMNPDD-UHFFFAOYSA-N
XLogP1.69
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.74
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
CID 157262995
6-chloro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid;4,6-dichloropyrrolo[1,2-b]pyridazine-3-carboxamide
CID 160589846
4-chloropyrrolo[1,2-b]pyridazine-3-carboxylic acid;ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
CID 161175274
4-chloro-6-[2-(4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carbonyl)oxyethyl]pyrrolo[1,2-b]pyridazine-3-carboxylic acid
CID 169673712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid (CID 159048030) is 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid is NC(=O)c1cnn2cc(F)cc2c1Cl.O=C(O)c1c[nH]n2cc(F)cc2c1=O.
What is the InChIKey of 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is NITWEEGMDMNPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3O.C8H5FN2O3/c9-7-5(8(11)14)2-12-13-3-4(10)1-6(7)13;9-4-1-6-7(12)5(8(13)14)2-10-11(6)3-4/h1-3H,(H2,11,14);1-3,10H,(H,13,14).
What are the key properties of 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid?
4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 409.74 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoropyrrolo[1,2-b]pyridazine-3-carboxamide;6-fluoro-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 159048030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).