3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid

C10H6ClN3O2 — CID 117127494

IUPAC3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccn2)cnnc1Cl
InChIInChI=1S/C10H6ClN3O2/c11-9-8(10(15)16)6(5-13-14-9)7-3-1-2-4-12-7/h1-5H,(H,15,16)
InChIKeyJGBXHVQGTJJYQC-UHFFFAOYSA-N
MW235.63 g/mol
LogP1.89
Rot. Bonds2

About 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid

3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid (PubChem CID 117127494) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid
PubChem CID117127494
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccn2)cnnc1Cl
InChIInChI=1S/C10H6ClN3O2/c11-9-8(10(15)16)6(5-13-14-9)7-3-1-2-4-12-7/h1-5H,(H,15,16)
InChIKeyJGBXHVQGTJJYQC-UHFFFAOYSA-N
XLogP1.89
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid
CID 82036502
3-hydroxy-2-methyl-5-pyridin-2-ylpyridine-4-carboxylic acid
CID 96600804
3-chloro-5-(5-chlorofuran-2-yl)pyridazine-4-carboxylic acid
CID 117127488
3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid
CID 117127520
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
2-amino-4-pyridin-2-ylthiophene-3-carboxylic acid
CID 118992178
2,6-difluoro-4-pyridin-2-ylbenzoic acid
CID 176582239
4-chloro-2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 28811995
4-pyridin-2-yl-1,2-oxazole-5-carboxylic acid
CID 82372800
3,5-dipyridin-2-ylpyridazine
CID 19065735
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 24903633
4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid
CID 68955463

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid?
The IUPAC name of 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid (CID 117127494) is 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid is O=C(O)c1c(-c2ccccn2)cnnc1Cl.
What is the InChIKey of 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid?
The InChIKey is JGBXHVQGTJJYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-9-8(10(15)16)6(5-13-14-9)7-3-1-2-4-12-7/h1-5H,(H,15,16).
What are the key properties of 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid?
3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid has a molecular weight of 235.63 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-pyridin-2-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 117127494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).