2-(6-bromo-1H-indazol-4-yl)acetic acid

C9H7BrN2O2 — CID 174657901

IUPAC2-(6-bromo-1H-indazol-4-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C9H7BrN2O2/c10-6-1-5(2-9(13)14)7-4-11-12-8(7)3-6/h1,3-4H,2H2,(H,11,12)(H,13,14)
InChIKeyNQPDIBTUXQWYDS-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.95
Rot. Bonds2

About 2-(6-bromo-1H-indazol-4-yl)acetic acid

2-(6-bromo-1H-indazol-4-yl)acetic acid (PubChem CID 174657901) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-(6-bromo-1H-indazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-1H-indazol-4-yl)acetic acid
PubChem CID174657901
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name2-(6-bromo-1H-indazol-4-yl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C9H7BrN2O2/c10-6-1-5(2-9(13)14)7-4-11-12-8(7)3-6/h1,3-4H,2H2,(H,11,12)(H,13,14)
InChIKeyNQPDIBTUXQWYDS-UHFFFAOYSA-N
XLogP1.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indazol-4-yl)acetic acid?
The IUPAC name of 2-(6-bromo-1H-indazol-4-yl)acetic acid (CID 174657901) is 2-(6-bromo-1H-indazol-4-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-1H-indazol-4-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-1H-indazol-4-yl)acetic acid is O=C(O)Cc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 2-(6-bromo-1H-indazol-4-yl)acetic acid?
The InChIKey is NQPDIBTUXQWYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-6-1-5(2-9(13)14)7-4-11-12-8(7)3-6/h1,3-4H,2H2,(H,11,12)(H,13,14).
What are the key properties of 2-(6-bromo-1H-indazol-4-yl)acetic acid?
2-(6-bromo-1H-indazol-4-yl)acetic acid has a molecular weight of 255.07 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indazol-4-yl)acetic acid is sourced from PubChem (CID 174657901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).