sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate

C22H15Cl2N2NaO3 — CID 129068855

IUPACsodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate
SMILESO=C([O-])c1cccc2c1cnn2Cc1cc(Cl)ccc1OCc1ccccc1Cl.[Na+]
InChIInChI=1S/C22H16Cl2N2O3.Na/c23-16-8-9-21(29-13-14-4-1-2-6-19(14)24)15(10-16)12-26-20-7-3-5-17(22(27)28)18(20)11-25-26;/h1-11H,12-13H2,(H,27,28);/q;+1/p-1
InChIKeyFPSBTVBPUUBINZ-UHFFFAOYSA-M
MW449.27 g/mol
LogP1.34
Rot. Bonds6

About sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate

sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate (PubChem CID 129068855) has the molecular formula C22H15Cl2N2NaO3 and a molecular weight of 449.27 g/mol. Its IUPAC name is sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate.

Molecular Properties

Compound Namesodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate
PubChem CID129068855
Molecular FormulaC22H15Cl2N2NaO3
Molecular Weight449.27 g/mol
Exact Mass448.04
IUPAC Namesodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate
SMILESO=C([O-])c1cccc2c1cnn2Cc1cc(Cl)ccc1OCc1ccccc1Cl.[Na+]
InChIInChI=1S/C22H16Cl2N2O3.Na/c23-16-8-9-21(29-13-14-4-1-2-6-19(14)24)15(10-16)12-26-20-7-3-5-17(22(27)28)18(20)11-25-26;/h1-11H,12-13H2,(H,27,28);/q;+1/p-1
InChIKeyFPSBTVBPUUBINZ-UHFFFAOYSA-M
XLogP1.34
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.27
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazol-4-yl] hydrogen carbonate
CID 129069068
sodium 1-[[5-chloro-2-(2,2-dimethylpropoxy)phenyl]methyl]indazole-4-carboxylate
CID 129068738
1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid
CID 89444227
sodium 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(methoxymethyl)indole-4-carboxylate
CID 89444768
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
2-[2-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155290
sodium 1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3,4-dihydro-2H-quinoxaline-5-carboxylate
CID 89444182
sodium 4-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 129068815
4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
[1-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-3-(hydroxymethyl)indazol-4-yl] hydrogen carbonate
CID 129068920
4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81227840
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702

Frequently Asked Questions

What is the IUPAC name of sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate?
The IUPAC name of sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate (CID 129068855) is sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate.
What is the SMILES notation for sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate?
The canonical SMILES for sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate is O=C([O-])c1cccc2c1cnn2Cc1cc(Cl)ccc1OCc1ccccc1Cl.[Na+].
What is the InChIKey of sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate?
The InChIKey is FPSBTVBPUUBINZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H16Cl2N2O3.Na/c23-16-8-9-21(29-13-14-4-1-2-6-19(14)24)15(10-16)12-26-20-7-3-5-17(22(27)28)18(20)11-25-26;/h1-11H,12-13H2,(H,27,28);/q;+1/p-1.
What are the key properties of sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate?
sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate has a molecular weight of 449.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate is sourced from PubChem (CID 129068855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).