methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate

C16H13Cl2N3O2 — CID 87287595

IUPACmethyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1c(C)c(-c2ccc(Cl)nn2)c2cc(Cl)ccc21
InChIInChI=1S/C16H13Cl2N3O2/c1-9-16(12-4-6-14(18)20-19-12)11-7-10(17)3-5-13(11)21(9)8-15(22)23-2/h3-7H,8H2,1-2H3
InChIKeyMGEBBGASGVFQRP-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.89
Rot. Bonds3

About methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate

methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate (PubChem CID 87287595) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate
PubChem CID87287595
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Namemethyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1c(C)c(-c2ccc(Cl)nn2)c2cc(Cl)ccc21
InChIInChI=1S/C16H13Cl2N3O2/c1-9-16(12-4-6-14(18)20-19-12)11-7-10(17)3-5-13(11)21(9)8-15(22)23-2/h3-7H,8H2,1-2H3
InChIKeyMGEBBGASGVFQRP-UHFFFAOYSA-N
XLogP3.89
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate?
The IUPAC name of methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate (CID 87287595) is methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate is COC(=O)Cn1c(C)c(-c2ccc(Cl)nn2)c2cc(Cl)ccc21.
What is the InChIKey of methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate?
The InChIKey is MGEBBGASGVFQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-9-16(12-4-6-14(18)20-19-12)11-7-10(17)3-5-13(11)21(9)8-15(22)23-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate?
methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate has a molecular weight of 350.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate is sourced from PubChem (CID 87287595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).