1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid

C16H15Cl2N3O3 — CID 176930792

IUPAC1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)nn2)C1
InChIInChI=1S/C16H15Cl2N3O3/c17-13-3-1-10(5-14(13)18)9-24-15-4-2-12(19-20-15)8-21-6-11(7-21)16(22)23/h1-5,11H,6-9H2,(H,22,23)
InChIKeyGXGZTPCNOVCKOL-UHFFFAOYSA-N
MW368.22 g/mol
LogP2.88
Rot. Bonds6

About 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid

1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid (PubChem CID 176930792) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid
PubChem CID176930792
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)nn2)C1
InChIInChI=1S/C16H15Cl2N3O3/c17-13-3-1-10(5-14(13)18)9-24-15-4-2-12(19-20-15)8-21-6-11(7-21)16(22)23/h1-5,11H,6-9H2,(H,22,23)
InChIKeyGXGZTPCNOVCKOL-UHFFFAOYSA-N
XLogP2.88
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[(3,4-dichlorophenyl)methoxy]-2,5-dimethylphenyl]methyl]azetidine-3-carboxylic acid
CID 176930599
1-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]azetidine-3-carboxylic acid
CID 59451829
1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-N-(2-methylpropyl)azetidine-3-carboxamide
CID 176930014
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147002
1-[[4-[[5-(3-chloro-4-propan-2-yloxyphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 25176109
1-[[4-[[4-(2,2-difluoroethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930409
1-[(2,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65317178
2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid
CID 64617121
1-[[4-[[4-cyclopropyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]azetidine-3-carboxylic acid
CID 176930404
1-[[4-(2-methylpropoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 122046690
1-[(3,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65071689
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid (CID 176930792) is 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)nn2)C1.
What is the InChIKey of 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid?
The InChIKey is GXGZTPCNOVCKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c17-13-3-1-10(5-14(13)18)9-24-15-4-2-12(19-20-15)8-21-6-11(7-21)16(22)23/h1-5,11H,6-9H2,(H,22,23).
What are the key properties of 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid?
1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid has a molecular weight of 368.22 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(3,4-dichlorophenyl)methoxy]pyridazin-3-yl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 176930792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).