2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid

C10H10ClN3O3 — CID 175449316

IUPAC2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCO[C@@H](C)c1c(C(=O)O)cnn2cc(Cl)nc12
InChIInChI=1S/C10H10ClN3O3/c1-5(17-2)8-6(10(15)16)3-12-14-4-7(11)13-9(8)14/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1
InChIKeySGUZAJRSDJGRMZ-YFKPBYRVSA-N
MW255.66 g/mol
LogP1.79
Rot. Bonds3

About 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid

2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid (PubChem CID 175449316) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid.

Molecular Properties

Compound Name2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid
PubChem CID175449316
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid
SMILESCO[C@@H](C)c1c(C(=O)O)cnn2cc(Cl)nc12
InChIInChI=1S/C10H10ClN3O3/c1-5(17-2)8-6(10(15)16)3-12-14-4-7(11)13-9(8)14/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1
InChIKeySGUZAJRSDJGRMZ-YFKPBYRVSA-N
XLogP1.79
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methoxyethyl)-6-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;4-(1-methoxyethyl)pyrrolo[1,2-b]pyridazine-3-carboxylic acid
CID 156887143
[2-chloro-8-(1,1,1-trifluoropropan-2-yl)imidazo[1,2-b]pyridazin-7-yl]urea
CID 166791947
5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121320776
5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121208399
2-methylpropyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155324362
3-carbamoyl-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 63842384
6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83917493
5-(1-methoxyethyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 170167757
5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 165081968
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 155456557
1-[5-chloro-6-[4-(methoxymethyl)triazol-2-yl]-3-pyridinyl]-3-[8-(1-methoxyethyl)-2-methylimidazo[1,2-b]pyridazin-7-yl]urea
CID 166769846
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid?
The IUPAC name of 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid (CID 175449316) is 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid.
What is the SMILES notation for 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid?
The canonical SMILES for 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid is CO[C@@H](C)c1c(C(=O)O)cnn2cc(Cl)nc12.
What is the InChIKey of 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid?
The InChIKey is SGUZAJRSDJGRMZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c1-5(17-2)8-6(10(15)16)3-12-14-4-7(11)13-9(8)14/h3-5H,1-2H3,(H,15,16)/t5-/m0/s1.
What are the key properties of 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid?
2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid has a molecular weight of 255.66 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[(1S)-1-methoxyethyl]imidazo[1,2-b]pyridazine-7-carboxylic acid is sourced from PubChem (CID 175449316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).