6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid

C16H12ClN3O4 — CID 118173050

IUPAC6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid
SMILESO=C(Nc1cc2cn(C(=O)O)nc2cc1Cl)OCc1ccccc1
InChIInChI=1S/C16H12ClN3O4/c17-12-7-13-11(8-20(19-13)16(22)23)6-14(12)18-15(21)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,21)(H,22,23)
InChIKeyQUZSYLSPQRIRCR-UHFFFAOYSA-N
MW345.74 g/mol
LogP3.96
Rot. Bonds3

About 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid

6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid (PubChem CID 118173050) has the molecular formula C16H12ClN3O4 and a molecular weight of 345.74 g/mol. Its IUPAC name is 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid
PubChem CID118173050
Molecular FormulaC16H12ClN3O4
Molecular Weight345.74 g/mol
Exact Mass345.05
IUPAC Name6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid
SMILESO=C(Nc1cc2cn(C(=O)O)nc2cc1Cl)OCc1ccccc1
InChIInChI=1S/C16H12ClN3O4/c17-12-7-13-11(8-20(19-13)16(22)23)6-14(12)18-15(21)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,21)(H,22,23)
InChIKeyQUZSYLSPQRIRCR-UHFFFAOYSA-N
XLogP3.96
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.74
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid?
The IUPAC name of 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid (CID 118173050) is 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid?
The canonical SMILES for 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid is O=C(Nc1cc2cn(C(=O)O)nc2cc1Cl)OCc1ccccc1.
What is the InChIKey of 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid?
The InChIKey is QUZSYLSPQRIRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O4/c17-12-7-13-11(8-20(19-13)16(22)23)6-14(12)18-15(21)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,21)(H,22,23).
What are the key properties of 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid?
6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid has a molecular weight of 345.74 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(phenylmethoxycarbonylamino)indazole-2-carboxylic acid is sourced from PubChem (CID 118173050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).