3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid

C14H8ClFN2O2 — CID 39218901

IUPAC3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccc(F)c(Cl)c3)n[nH]c2c1
InChIInChI=1S/C14H8ClFN2O2/c15-10-5-7(2-4-11(10)16)13-9-3-1-8(14(19)20)6-12(9)17-18-13/h1-6H,(H,17,18)(H,19,20)
InChIKeyHFLFCSKBCWATRF-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.72
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid

3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid (PubChem CID 39218901) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid
PubChem CID39218901
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(-c3ccc(F)c(Cl)c3)n[nH]c2c1
InChIInChI=1S/C14H8ClFN2O2/c15-10-5-7(2-4-11(10)16)13-9-3-1-8(14(19)20)6-12(9)17-18-13/h1-6H,(H,17,18)(H,19,20)
InChIKeyHFLFCSKBCWATRF-UHFFFAOYSA-N
XLogP3.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218370
3-(1H-indol-5-yl)-1H-indazole-6-carboxylic acid
CID 39220248
5-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxylic acid
CID 83648852
3-fluoro-4-(1H-indazol-3-yl)benzoic acid
CID 118285872
3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
CID 39219281
6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole
CID 163234517
3-(3-ethoxyphenyl)-1H-indazole-6-carboxylic acid
CID 170838850
3-(5-methyl-1H-pyrazol-4-yl)-1H-indazole-6-carboxylic acid
CID 39220149
3-(3-chloro-4-fluorophenyl)pyrazine-2-carboxylic acid
CID 82481564
6-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1H-indazole
CID 163234729
2-fluoro-5-(4-oxo-3H-phthalazin-1-yl)benzoic acid
CID 175396474
N-[6-(3-chloro-4-fluorophenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69064019

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid (CID 39218901) is 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid is O=C(O)c1ccc2c(-c3ccc(F)c(Cl)c3)n[nH]c2c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid?
The InChIKey is HFLFCSKBCWATRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-10-5-7(2-4-11(10)16)13-9-3-1-8(14(19)20)6-12(9)17-18-13/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid?
3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid has a molecular weight of 290.68 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1H-indazole-6-carboxylic acid is sourced from PubChem (CID 39218901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).