3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid

C11H6ClFN2O2 — CID 117127520

IUPAC3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccc(F)c2)cnnc1Cl
InChIInChI=1S/C11H6ClFN2O2/c12-10-9(11(16)17)8(5-14-15-10)6-2-1-3-7(13)4-6/h1-5H,(H,16,17)
InChIKeyLPNKFMRDZCSYLG-UHFFFAOYSA-N
MW252.63 g/mol
LogP2.63
Rot. Bonds2

About 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid

3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid (PubChem CID 117127520) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid
PubChem CID117127520
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccc(F)c2)cnnc1Cl
InChIInChI=1S/C11H6ClFN2O2/c12-10-9(11(16)17)8(5-14-15-10)6-2-1-3-7(13)4-6/h1-5H,(H,16,17)
InChIKeyLPNKFMRDZCSYLG-UHFFFAOYSA-N
XLogP2.63
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid
CID 82036502
3-chloro-5-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 82387243
5-chloro-3-(3-fluorophenyl)pyridazine
CID 117106965
5-amino-3-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 84726572
5-amino-3-(3-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 70981008
5-(3-fluorophenyl)pyridazin-4-amine
CID 117127407
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
3,6-bis(3-fluorophenyl)pyridine-2-carboxylic acid
CID 46313709
5-chloro-4-(3-fluorophenyl)-1,2-oxazole
CID 84667900
4-(3-fluorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 154345358
2-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]acetic acid
CID 131869835
2-fluoro-3,5-bis(3-fluorophenyl)pyridine
CID 46313566

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid?
The IUPAC name of 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid (CID 117127520) is 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid is O=C(O)c1c(-c2cccc(F)c2)cnnc1Cl.
What is the InChIKey of 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid?
The InChIKey is LPNKFMRDZCSYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-10-9(11(16)17)8(5-14-15-10)6-2-1-3-7(13)4-6/h1-5H,(H,16,17).
What are the key properties of 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid?
3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid has a molecular weight of 252.63 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-fluorophenyl)pyridazine-4-carboxylic acid is sourced from PubChem (CID 117127520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).