(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate

C12H8Cl2N2O2 — CID 63840334

IUPAC(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate
SMILESO=C(OCc1ccccc1Cl)c1ccc(Cl)nn1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-4-2-1-3-8(9)7-18-12(17)10-5-6-11(14)16-15-10/h1-6H,7H2
InChIKeyPYIBGFKFAWGRMX-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.14
Rot. Bonds3

About (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate

(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate (PubChem CID 63840334) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate
PubChem CID63840334
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate
SMILESO=C(OCc1ccccc1Cl)c1ccc(Cl)nn1
InChIInChI=1S/C12H8Cl2N2O2/c13-9-4-2-1-3-8(9)7-18-12(17)10-5-6-11(14)16-15-10/h1-6H,7H2
InChIKeyPYIBGFKFAWGRMX-UHFFFAOYSA-N
XLogP3.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate?
The IUPAC name of (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate (CID 63840334) is (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate.
What is the SMILES notation for (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate?
The canonical SMILES for (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate is O=C(OCc1ccccc1Cl)c1ccc(Cl)nn1.
What is the InChIKey of (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate?
The InChIKey is PYIBGFKFAWGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-9-4-2-1-3-8(9)7-18-12(17)10-5-6-11(14)16-15-10/h1-6H,7H2.
What are the key properties of (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate?
(2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate has a molecular weight of 283.11 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 6-chloropyridazine-3-carboxylate is sourced from PubChem (CID 63840334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).