methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate

C20H16ClN3O3 — CID 167538625

IUPACmethyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Cc2ccc(Cc3cccc(Cl)c3)cn2)nn1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)18-8-7-17(23-24-18)19(25)11-16-6-5-14(12-22-16)9-13-3-2-4-15(21)10-13/h2-8,10,12H,9,11H2,1H3
InChIKeyAWLGVBNUBLZDRC-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.33
Rot. Bonds6

About methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate

methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate (PubChem CID 167538625) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate
PubChem CID167538625
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Namemethyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Cc2ccc(Cc3cccc(Cl)c3)cn2)nn1
InChIInChI=1S/C20H16ClN3O3/c1-27-20(26)18-8-7-17(23-24-18)19(25)11-16-6-5-14(12-22-16)9-13-3-2-4-15(21)10-13/h2-8,10,12H,9,11H2,1H3
InChIKeyAWLGVBNUBLZDRC-UHFFFAOYSA-N
XLogP3.33
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 6-(6-(7-Phenylheptanoyl)-pyridazin-3-yl)-picolinate
CID 24950528
Ethyl 1-[(6-chloropyridin-3-yl)methyl]-3-phenyl-1H-pyrazole-5-carboxylate
CID 139071141
Ethyl 3-chloro-6-(pyridin-4-yl)pyridazine-4-carboxylate
CID 15895228
Methyl 6-[(6-chloro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate
CID 86704830
Ethyl 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine-3-carboxylate
CID 67484483
Ethyl 5-[3-(trifluoromethyl)pyridin-2-yl]pyridazine-3-carboxylate
CID 69454723
Methyl 2'-(4-chloro-2-fluorophenyl)-2,4'-bipyridine-3-carboxylate
CID 90039857
Methyl 6-[[6-chloro-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123211516
Methyl 6-[[6-chloro-2-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123642125
Methyl 6-[[6-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 123824990
Methyl 5-[(3-chloro-5-fluorophenyl)methyl]pyridine-2-carboxylate
CID 139512263
fluoro 6-[[6-chloro-2-[(2E,4Z)-3-methoxyhepta-2,4-dien-4-yl]pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 144420720

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate (CID 167538625) is methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate is COC(=O)c1ccc(C(=O)Cc2ccc(Cc3cccc(Cl)c3)cn2)nn1.
What is the InChIKey of methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate?
The InChIKey is AWLGVBNUBLZDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-27-20(26)18-8-7-17(23-24-18)19(25)11-16-6-5-14(12-22-16)9-13-3-2-4-15(21)10-13/h2-8,10,12H,9,11H2,1H3.
What are the key properties of methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate?
methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate has a molecular weight of 381.82 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]acetyl]pyridazine-3-carboxylate is sourced from PubChem (CID 167538625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).