ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate

C12H10ClN3O2 — CID 15895228

IUPACethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)nnc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-2-18-12(17)9-7-10(15-16-11(9)13)8-3-5-14-6-4-8/h3-7H,2H2,1H3
InChIKeyDJUJHVXAIYTWRW-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.37
Rot. Bonds3

About ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate

ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate (PubChem CID 15895228) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate
PubChem CID15895228
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Nameethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccncc2)nnc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-2-18-12(17)9-7-10(15-16-11(9)13)8-3-5-14-6-4-8/h3-7H,2H2,1H3
InChIKeyDJUJHVXAIYTWRW-UHFFFAOYSA-N
XLogP2.37
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate (CID 15895228) is ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate is CCOC(=O)c1cc(-c2ccncc2)nnc1Cl.
What is the InChIKey of ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate?
The InChIKey is DJUJHVXAIYTWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-2-18-12(17)9-7-10(15-16-11(9)13)8-3-5-14-6-4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate?
ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate has a molecular weight of 263.68 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-6-pyridin-4-ylpyridazine-4-carboxylate is sourced from PubChem (CID 15895228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).