2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid

C10H10N2O4 — CID 170824122

IUPAC2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid
SMILESO=C(O)C(O)C(O)c1cccc2cn[nH]c12
InChIInChI=1S/C10H10N2O4/c13-8(9(14)10(15)16)6-3-1-2-5-4-11-12-7(5)6/h1-4,8-9,13-14H,(H,11,12)(H,15,16)
InChIKeyBVPZTFSTNAGOJB-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.04
Rot. Bonds3

About 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid

2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid (PubChem CID 170824122) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid
PubChem CID170824122
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid
SMILESO=C(O)C(O)C(O)c1cccc2cn[nH]c12
InChIInChI=1S/C10H10N2O4/c13-8(9(14)10(15)16)6-3-1-2-5-4-11-12-7(5)6/h1-4,8-9,13-14H,(H,11,12)(H,15,16)
InChIKeyBVPZTFSTNAGOJB-UHFFFAOYSA-N
XLogP0.04
TPSA106.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid (CID 170824122) is 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid is O=C(O)C(O)C(O)c1cccc2cn[nH]c12.
What is the InChIKey of 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid?
The InChIKey is BVPZTFSTNAGOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-8(9(14)10(15)16)6-3-1-2-5-4-11-12-7(5)6/h1-4,8-9,13-14H,(H,11,12)(H,15,16).
What are the key properties of 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid?
2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid has a molecular weight of 222.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(1H-indazol-7-yl)propanoic acid is sourced from PubChem (CID 170824122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).