2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid

C16H13ClN2O3 — CID 23173494

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid
SMILESO=C(O)COc1nn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H13ClN2O3/c17-12-5-3-4-11(8-12)9-19-14-7-2-1-6-13(14)16(18-19)22-10-15(20)21/h1-8H,9-10H2,(H,20,21)
InChIKeyVQCUZPNZYSGVIS-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.20
Rot. Bonds5

About 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid (PubChem CID 23173494) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid
PubChem CID23173494
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid
SMILESO=C(O)COc1nn(Cc2cccc(Cl)c2)c2ccccc12
InChIInChI=1S/C16H13ClN2O3/c17-12-5-3-4-11(8-12)9-19-14-7-2-1-6-13(14)16(18-19)22-10-15(20)21/h1-8H,9-10H2,(H,20,21)
InChIKeyVQCUZPNZYSGVIS-UHFFFAOYSA-N
XLogP3.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylindazol-3-yl)oxyacetamide
CID 57182784
3-iodopropyl 2-(1-benzylindazol-3-yl)oxyacetate
CID 170695885
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxypropanedioic acid
CID 46885023
1-benzyl-3-(3-chloropropoxy)indazole;hydrochloride
CID 71371657
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 134809753
dipotassium;2-(1-benzylindazol-3-yl)oxypropanedioate
CID 46204253
1-benzylindazole-3-carboxylate
CID 22239042
3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 12555
1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
CID 63106124
disodium;2-[1-[(4-chlorophenyl)methyl]indazol-3-yl]oxypropanedioate
CID 46885025
2-[(1-benzylindazol-3-yl)methoxy]propanoic acid
CID 163783717
1-benzyl-3-prop-1-enoxyindazole
CID 53421497

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid (CID 23173494) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid is O=C(O)COc1nn(Cc2cccc(Cl)c2)c2ccccc12.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid?
The InChIKey is VQCUZPNZYSGVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-12-5-3-4-11(8-12)9-19-14-7-2-1-6-13(14)16(18-19)22-10-15(20)21/h1-8H,9-10H2,(H,20,21).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid has a molecular weight of 316.74 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid is sourced from PubChem (CID 23173494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).