3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid

C10H7ClN2O2S — CID 117127263

IUPAC3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccs2)nnc1Cl
InChIInChI=1S/C10H7ClN2O2S/c11-9-8(10(14)15)5-6(12-13-9)4-7-2-1-3-16-7/h1-3,5H,4H2,(H,14,15)
InChIKeyQYUIJXAOMITWCO-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.48
Rot. Bonds3

About 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid

3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid (PubChem CID 117127263) has the molecular formula C10H7ClN2O2S and a molecular weight of 254.70 g/mol. Its IUPAC name is 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid
PubChem CID117127263
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.70 g/mol
Exact Mass253.99
IUPAC Name3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(Cc2cccs2)nnc1Cl
InChIInChI=1S/C10H7ClN2O2S/c11-9-8(10(14)15)5-6(12-13-9)4-7-2-1-3-16-7/h1-3,5H,4H2,(H,14,15)
InChIKeyQYUIJXAOMITWCO-UHFFFAOYSA-N
XLogP2.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-thiophen-2-ylethyl)benzoic acid
CID 154103735
2-hydroxyacetic acid;2-(thiophen-2-ylmethyl)thiophene
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3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 62502518
1-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117252076
carbonochloridic acid;2-ethylthiophene
CID 88766829
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
2-chloro-4-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 62945920
2-(chloromethyl)-6-(2-thiophen-2-ylethyl)pyridine-3-carboxylic acid
CID 174794822
3-[4-chloro-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]propanoic acid
CID 117225466
2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119973

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid (CID 117127263) is 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid is O=C(O)c1cc(Cc2cccs2)nnc1Cl.
What is the InChIKey of 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid?
The InChIKey is QYUIJXAOMITWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S/c11-9-8(10(14)15)5-6(12-13-9)4-7-2-1-3-16-7/h1-3,5H,4H2,(H,14,15).
What are the key properties of 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid?
3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid has a molecular weight of 254.70 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(thiophen-2-ylmethyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117127263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).