2-chloro-5-indazol-1-ylbenzoic acid

C14H9ClN2O2 — CID 82514553

IUPAC2-chloro-5-indazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(-n2ncc3ccccc32)ccc1Cl
InChIInChI=1S/C14H9ClN2O2/c15-12-6-5-10(7-11(12)14(18)19)17-13-4-2-1-3-9(13)8-16-17/h1-8H,(H,18,19)
InChIKeyHJALSTQUWBHUGX-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.38
Rot. Bonds2

About 2-chloro-5-indazol-1-ylbenzoic acid

2-chloro-5-indazol-1-ylbenzoic acid (PubChem CID 82514553) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-chloro-5-indazol-1-ylbenzoic acid.

Molecular Properties

Compound Name2-chloro-5-indazol-1-ylbenzoic acid
PubChem CID82514553
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-chloro-5-indazol-1-ylbenzoic acid
SMILESO=C(O)c1cc(-n2ncc3ccccc32)ccc1Cl
InChIInChI=1S/C14H9ClN2O2/c15-12-6-5-10(7-11(12)14(18)19)17-13-4-2-1-3-9(13)8-16-17/h1-8H,(H,18,19)
InChIKeyHJALSTQUWBHUGX-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-chloro-3-indazol-1-ylbenzoic acid
CID 82514554
1-naphthalen-2-ylindazole
CID 134338014
2-chloro-4-indazol-1-ylbenzenecarboximidamide
CID 62948880
2-(3-indazol-1-ylphenyl)acetic acid
CID 82513907
3-indazol-1-yl-2-methylbenzoic acid
CID 19744370
2-indazol-1-yl-4-methylpyrimidine-5-carboxylic acid
CID 83182002
4-indazol-1-yl-3-methylbenzoic acid
CID 62120447
1-(2-indazol-1-ylphenyl)ethanone
CID 15712135
3,5-difluoro-4-indazol-1-ylbenzoic acid
CID 63075994
6-indazol-1-yl-5-methylpyridine-3-carboxylic acid
CID 80631041
(2-chloro-4-indazol-1-ylphenyl)-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methanone
CID 167968837
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-indazol-1-ylbenzoic acid?
The IUPAC name of 2-chloro-5-indazol-1-ylbenzoic acid (CID 82514553) is 2-chloro-5-indazol-1-ylbenzoic acid.
What is the SMILES notation for 2-chloro-5-indazol-1-ylbenzoic acid?
The canonical SMILES for 2-chloro-5-indazol-1-ylbenzoic acid is O=C(O)c1cc(-n2ncc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-indazol-1-ylbenzoic acid?
The InChIKey is HJALSTQUWBHUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-12-6-5-10(7-11(12)14(18)19)17-13-4-2-1-3-9(13)8-16-17/h1-8H,(H,18,19).
What are the key properties of 2-chloro-5-indazol-1-ylbenzoic acid?
2-chloro-5-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 2-chloro-5-indazol-1-ylbenzoic acid is sourced from PubChem (CID 82514553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).