1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid

C22H16ClFN2O3 — CID 89444227

IUPAC1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1cnn2Cc1cc(F)ccc1OCc1ccccc1Cl
InChIInChI=1S/C22H16ClFN2O3/c23-19-6-2-1-4-14(19)13-29-21-9-8-16(24)10-15(21)12-26-20-7-3-5-17(22(27)28)18(20)11-25-26/h1-11H,12-13H2,(H,27,28)
InChIKeyPCIFROOINYDSCV-UHFFFAOYSA-N
MW410.83 g/mol
LogP5.15
Rot. Bonds6

About 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid

1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid (PubChem CID 89444227) has the molecular formula C22H16ClFN2O3 and a molecular weight of 410.83 g/mol. Its IUPAC name is 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid
PubChem CID89444227
Molecular FormulaC22H16ClFN2O3
Molecular Weight410.83 g/mol
Exact Mass410.08
IUPAC Name1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1cnn2Cc1cc(F)ccc1OCc1ccccc1Cl
InChIInChI=1S/C22H16ClFN2O3/c23-19-6-2-1-4-14(19)13-29-21-9-8-16(24)10-15(21)12-26-20-7-3-5-17(22(27)28)18(20)11-25-26/h1-11H,12-13H2,(H,27,28)
InChIKeyPCIFROOINYDSCV-UHFFFAOYSA-N
XLogP5.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.83
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazole-4-carboxylate
CID 129068855
[1-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]indazol-4-yl] hydrogen carbonate
CID 129069068
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
sodium 1-[[5-chloro-2-(2,2-dimethylpropoxy)phenyl]methyl]indazole-4-carboxylate
CID 129068738
4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81227840
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229
2-[(2-bromo-4-fluorophenyl)methoxy]-3-chlorobenzoic acid
CID 115955941
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
1-chloro-2-[[2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 102616567
1-benzylindazole-4-carbonyl chloride
CID 88925146
1-[[5-chloro-2-[2-(2,4-difluorophenyl)ethoxy]phenyl]methyl]indole-4-carboxylic acid
CID 89444242

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid?
The IUPAC name of 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid (CID 89444227) is 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid.
What is the SMILES notation for 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid?
The canonical SMILES for 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid is O=C(O)c1cccc2c1cnn2Cc1cc(F)ccc1OCc1ccccc1Cl.
What is the InChIKey of 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid?
The InChIKey is PCIFROOINYDSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O3/c23-19-6-2-1-4-14(19)13-29-21-9-8-16(24)10-15(21)12-26-20-7-3-5-17(22(27)28)18(20)11-25-26/h1-11H,12-13H2,(H,27,28).
What are the key properties of 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid?
1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid has a molecular weight of 410.83 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2-chlorophenyl)methoxy]-5-fluorophenyl]methyl]indazole-4-carboxylic acid is sourced from PubChem (CID 89444227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).