2-(6-chloroindazol-1-yl)acetic acid

C9H7ClN2O2 — CID 13337779

IUPAC2-(6-chloroindazol-1-yl)acetic acid
SMILESO=C(O)Cn1ncc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClN2O2/c10-7-2-1-6-4-11-12(5-9(13)14)8(6)3-7/h1-4H,5H2,(H,13,14)
InChIKeySLRWYLOBERUSHR-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.77
Rot. Bonds2

About 2-(6-chloroindazol-1-yl)acetic acid

2-(6-chloroindazol-1-yl)acetic acid (PubChem CID 13337779) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(6-chloroindazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloroindazol-1-yl)acetic acid
PubChem CID13337779
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-(6-chloroindazol-1-yl)acetic acid
SMILESO=C(O)Cn1ncc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClN2O2/c10-7-2-1-6-4-11-12(5-9(13)14)8(6)3-7/h1-4H,5H2,(H,13,14)
InChIKeySLRWYLOBERUSHR-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindazol-1-yl)acetic acid?
The IUPAC name of 2-(6-chloroindazol-1-yl)acetic acid (CID 13337779) is 2-(6-chloroindazol-1-yl)acetic acid.
What is the SMILES notation for 2-(6-chloroindazol-1-yl)acetic acid?
The canonical SMILES for 2-(6-chloroindazol-1-yl)acetic acid is O=C(O)Cn1ncc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloroindazol-1-yl)acetic acid?
The InChIKey is SLRWYLOBERUSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-2-1-6-4-11-12(5-9(13)14)8(6)3-7/h1-4H,5H2,(H,13,14).
What are the key properties of 2-(6-chloroindazol-1-yl)acetic acid?
2-(6-chloroindazol-1-yl)acetic acid has a molecular weight of 210.62 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindazol-1-yl)acetic acid is sourced from PubChem (CID 13337779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).