(3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate

C13H11ClN2O3 — CID 63841488

IUPAC(3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate
SMILESCOc1cccc(COC(=O)c2ccc(Cl)nn2)c1
InChIInChI=1S/C13H11ClN2O3/c1-18-10-4-2-3-9(7-10)8-19-13(17)11-5-6-12(14)16-15-11/h2-7H,8H2,1H3
InChIKeyUCZRIXDTJPZLLE-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.50
Rot. Bonds4

About (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate

(3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate (PubChem CID 63841488) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate
PubChem CID63841488
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name(3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate
SMILESCOc1cccc(COC(=O)c2ccc(Cl)nn2)c1
InChIInChI=1S/C13H11ClN2O3/c1-18-10-4-2-3-9(7-10)8-19-13(17)11-5-6-12(14)16-15-11/h2-7H,8H2,1H3
InChIKeyUCZRIXDTJPZLLE-UHFFFAOYSA-N
XLogP2.50
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929160
3-chloro-6-[(3-methoxyphenyl)methoxy]pyridazine
CID 24702532
(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
CID 175547229
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
(3-methoxyphenyl)methyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 16569929
(3-methoxyphenyl)methyl (Z)-2-methylbut-2-enoate
CID 91698333
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 78789323

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate (CID 63841488) is (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate is COc1cccc(COC(=O)c2ccc(Cl)nn2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate?
The InChIKey is UCZRIXDTJPZLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-18-10-4-2-3-9(7-10)8-19-13(17)11-5-6-12(14)16-15-11/h2-7H,8H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate?
(3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate has a molecular weight of 278.70 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate is sourced from PubChem (CID 63841488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).