4-(6-chloro-1H-indazol-4-yl)benzoic acid

C14H9ClN2O2 — CID 121326739

IUPAC4-(6-chloro-1H-indazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C14H9ClN2O2/c15-10-5-11(12-7-16-17-13(12)6-10)8-1-3-9(4-2-8)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyHPVPSLSZSVVVSR-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.58
Rot. Bonds2

About 4-(6-chloro-1H-indazol-4-yl)benzoic acid

4-(6-chloro-1H-indazol-4-yl)benzoic acid (PubChem CID 121326739) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-chloro-1H-indazol-4-yl)benzoic acid
PubChem CID121326739
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name4-(6-chloro-1H-indazol-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C14H9ClN2O2/c15-10-5-11(12-7-16-17-13(12)6-10)8-1-3-9(4-2-8)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyHPVPSLSZSVVVSR-UHFFFAOYSA-N
XLogP3.58
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indazol-4-yl)benzoic acid?
The IUPAC name of 4-(6-chloro-1H-indazol-4-yl)benzoic acid (CID 121326739) is 4-(6-chloro-1H-indazol-4-yl)benzoic acid.
What is the SMILES notation for 4-(6-chloro-1H-indazol-4-yl)benzoic acid?
The canonical SMILES for 4-(6-chloro-1H-indazol-4-yl)benzoic acid is O=C(O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.
What is the InChIKey of 4-(6-chloro-1H-indazol-4-yl)benzoic acid?
The InChIKey is HPVPSLSZSVVVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-5-11(12-7-16-17-13(12)6-10)8-1-3-9(4-2-8)14(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 4-(6-chloro-1H-indazol-4-yl)benzoic acid?
4-(6-chloro-1H-indazol-4-yl)benzoic acid has a molecular weight of 272.69 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-indazol-4-yl)benzoic acid is sourced from PubChem (CID 121326739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).