(3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate

C8H6ClN3O2 — CID 177370355

IUPAC(3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate
SMILESCC(=O)Oc1c[nH]c2nnc(Cl)cc12
InChIInChI=1S/C8H6ClN3O2/c1-4(13)14-6-3-10-8-5(6)2-7(9)11-12-8/h2-3H,1H3,(H,10,12)
InChIKeyRGKMOGSJOFWNSY-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.54
Rot. Bonds1

About (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate

(3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate (PubChem CID 177370355) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate.

Molecular Properties

Compound Name(3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate
PubChem CID177370355
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name(3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate
SMILESCC(=O)Oc1c[nH]c2nnc(Cl)cc12
InChIInChI=1S/C8H6ClN3O2/c1-4(13)14-6-3-10-8-5(6)2-7(9)11-12-8/h2-3H,1H3,(H,10,12)
InChIKeyRGKMOGSJOFWNSY-UHFFFAOYSA-N
XLogP1.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-6-methyl-4-sulfanylidene-1H-pyridin-3-yl) acetate
CID 91603270
(7-hydroxy-1H-indol-3-yl) acetate
CID 174769311
[4-(4-chlorophenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl] acetate
CID 175148237
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
(2-amino-6-chloro-3-pyridinyl) acetate
CID 143445346
(6,7-diiodo-1H-indol-3-yl) acetate
CID 150928331
(6-chloro-4-iodo-3-pyridinyl) acetate
CID 58764257
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
CID 100914001
N-(6-chloro-4-methylpyridazin-3-yl)acetamide
CID 130008091
methyl 3,4,5-triacetyloxybenzoate
CID 10924932
1-(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 71721068
[4-(aminomethyl)-2-chlorophenyl] acetate
CID 174881739

Frequently Asked Questions

What is the IUPAC name of (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate?
The IUPAC name of (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate (CID 177370355) is (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate.
What is the SMILES notation for (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate?
The canonical SMILES for (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate is CC(=O)Oc1c[nH]c2nnc(Cl)cc12.
What is the InChIKey of (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate?
The InChIKey is RGKMOGSJOFWNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-4(13)14-6-3-10-8-5(6)2-7(9)11-12-8/h2-3H,1H3,(H,10,12).
What are the key properties of (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate?
(3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate has a molecular weight of 211.61 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-7H-pyrrolo[2,3-c]pyridazin-5-yl) acetate is sourced from PubChem (CID 177370355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).