4-chloro-3-indazol-1-ylbenzoic acid

C14H9ClN2O2 — CID 82514554

IUPAC4-chloro-3-indazol-1-ylbenzoic acid
SMILESO=C(O)c1ccc(Cl)c(-n2ncc3ccccc32)c1
InChIInChI=1S/C14H9ClN2O2/c15-11-6-5-9(14(18)19)7-13(11)17-12-4-2-1-3-10(12)8-16-17/h1-8H,(H,18,19)
InChIKeyJGBQRFLHQLHDHC-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.38
Rot. Bonds2

About 4-chloro-3-indazol-1-ylbenzoic acid

4-chloro-3-indazol-1-ylbenzoic acid (PubChem CID 82514554) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-chloro-3-indazol-1-ylbenzoic acid.

Molecular Properties

Compound Name4-chloro-3-indazol-1-ylbenzoic acid
PubChem CID82514554
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name4-chloro-3-indazol-1-ylbenzoic acid
SMILESO=C(O)c1ccc(Cl)c(-n2ncc3ccccc32)c1
InChIInChI=1S/C14H9ClN2O2/c15-11-6-5-9(14(18)19)7-13(11)17-12-4-2-1-3-10(12)8-16-17/h1-8H,(H,18,19)
InChIKeyJGBQRFLHQLHDHC-UHFFFAOYSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-indazol-1-yl-3-methylbenzoic acid
CID 62120447
2-chloro-5-indazol-1-ylbenzoic acid
CID 82514553
4-indazol-1-ylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 91601147
3-chloro-4-(indazol-1-ylmethyl)benzoic acid
CID 102670055
3,5-difluoro-4-indazol-1-ylbenzoic acid
CID 63075994
1-(2-indazol-1-ylphenyl)ethanone
CID 15712135
5-amino-6-indazol-1-ylpyridine-3-carboxylic acid
CID 81439613
6-indazol-1-yl-5-methylpyridine-3-carboxylic acid
CID 80631041
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370
1-[2-(1-chloroethenyl)phenyl]indazole;bis(2,2,2-trifluoroacetic acid)
CID 161321088
4-chloro-3-(4-methylpyrazol-1-yl)benzoic acid
CID 84699686
4-chloro-3-pyrrolidin-1-ylbenzoic acid
CID 7148434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-indazol-1-ylbenzoic acid?
The IUPAC name of 4-chloro-3-indazol-1-ylbenzoic acid (CID 82514554) is 4-chloro-3-indazol-1-ylbenzoic acid.
What is the SMILES notation for 4-chloro-3-indazol-1-ylbenzoic acid?
The canonical SMILES for 4-chloro-3-indazol-1-ylbenzoic acid is O=C(O)c1ccc(Cl)c(-n2ncc3ccccc32)c1.
What is the InChIKey of 4-chloro-3-indazol-1-ylbenzoic acid?
The InChIKey is JGBQRFLHQLHDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-6-5-9(14(18)19)7-13(11)17-12-4-2-1-3-10(12)8-16-17/h1-8H,(H,18,19).
What are the key properties of 4-chloro-3-indazol-1-ylbenzoic acid?
4-chloro-3-indazol-1-ylbenzoic acid has a molecular weight of 272.69 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-indazol-1-ylbenzoic acid is sourced from PubChem (CID 82514554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).