6-chloro-5-methylpyridazine-3-carboxylic acid

C6H5ClN2O2 — CID 83635815

IUPAC6-chloro-5-methylpyridazine-3-carboxylic acid
SMILESCc1cc(C(=O)O)nnc1Cl
InChIInChI=1S/C6H5ClN2O2/c1-3-2-4(6(10)11)8-9-5(3)7/h2H,1H3,(H,10,11)
InChIKeyBDIKHDKHHMBAHX-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.14
Rot. Bonds1

About 6-chloro-5-methylpyridazine-3-carboxylic acid

6-chloro-5-methylpyridazine-3-carboxylic acid (PubChem CID 83635815) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 6-chloro-5-methylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-methylpyridazine-3-carboxylic acid
PubChem CID83635815
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name6-chloro-5-methylpyridazine-3-carboxylic acid
SMILESCc1cc(C(=O)O)nnc1Cl
InChIInChI=1S/C6H5ClN2O2/c1-3-2-4(6(10)11)8-9-5(3)7/h2H,1H3,(H,10,11)
InChIKeyBDIKHDKHHMBAHX-UHFFFAOYSA-N
XLogP1.14
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 6-chloropyridazine-3-carboxylate
CID 10352425
6-chloropyridazine-3-carboxylic Acid
CID 6415762
Methyl 6-chloropyridazine-3-carboxylate
CID 12379801
Lithium 4,6-Dichloropyridazine-3-carboxylate
CID 154640671
6-Methylpyridazine-3-carboxylic acid
CID 13555893
Methyl 4,6-dichloropyridazine-3-carboxylate
CID 17848322
5-Chloropyridazine-3-carboxylic acid
CID 19792063
3-Chloro-6-methylpyridazine-4-carboxylic acid
CID 26599215
5,6-Dimethylpyridazine-3-carboxylic acid
CID 83635384
Methyl 6-chloro-4-methylpyridazine-3-carboxylate
CID 135392320
4,6-Dichloro-pyridazine-3-carboxylic acid lithium salt monohydrate
CID 154791965
Lithium(1+) 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate
CID 134691034

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylpyridazine-3-carboxylic acid?
The IUPAC name of 6-chloro-5-methylpyridazine-3-carboxylic acid (CID 83635815) is 6-chloro-5-methylpyridazine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-5-methylpyridazine-3-carboxylic acid?
The canonical SMILES for 6-chloro-5-methylpyridazine-3-carboxylic acid is Cc1cc(C(=O)O)nnc1Cl.
What is the InChIKey of 6-chloro-5-methylpyridazine-3-carboxylic acid?
The InChIKey is BDIKHDKHHMBAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c1-3-2-4(6(10)11)8-9-5(3)7/h2H,1H3,(H,10,11).
What are the key properties of 6-chloro-5-methylpyridazine-3-carboxylic acid?
6-chloro-5-methylpyridazine-3-carboxylic acid has a molecular weight of 172.57 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylpyridazine-3-carboxylic acid is sourced from PubChem (CID 83635815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).