6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid

C13H8FN3O2 — CID 171474840

IUPAC6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid
SMILESO=C(O)c1cc2cnn(-c3ccncc3)c2cc1F
InChIInChI=1S/C13H8FN3O2/c14-11-6-12-8(5-10(11)13(18)19)7-16-17(12)9-1-3-15-4-2-9/h1-7H,(H,18,19)
InChIKeyFUNKWNVRGFHEML-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.26
Rot. Bonds2

About 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid

6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid (PubChem CID 171474840) has the molecular formula C13H8FN3O2 and a molecular weight of 257.22 g/mol. Its IUPAC name is 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid
PubChem CID171474840
Molecular FormulaC13H8FN3O2
Molecular Weight257.22 g/mol
Exact Mass257.06
IUPAC Name6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid
SMILESO=C(O)c1cc2cnn(-c3ccncc3)c2cc1F
InChIInChI=1S/C13H8FN3O2/c14-11-6-12-8(5-10(11)13(18)19)7-16-17(12)9-1-3-15-4-2-9/h1-7H,(H,18,19)
InChIKeyFUNKWNVRGFHEML-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
5-fluoro-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 115034303
1-phenyl-5-pyridin-4-ylpyrazole-4-carboxylic acid
CID 20855127
5-(2,5-dimethylpyrrol-1-yl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 20983231
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(1-pyridin-4-ylpyrazolo[3,4-c]pyridin-5-yl)acetamide
CID 147153289
[1-(4-fluorophenyl)indazol-5-yl]-pyridin-4-ylmethanol
CID 67005631
5-(1-methoxyethyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 170167757
1-(4-fluorophenyl)indazole-4-carboxylic acid
CID 58138774
pyridine-4-carboxamide;2,4,5-trifluorobenzoic acid
CID 139184205
1-(6-fluoro-1-methylindazol-5-yl)ethanone
CID 83877961
5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
methyl 1-(4-fluorophenyl)-6-propan-2-ylindazole-5-carboxylate
CID 67005486

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid?
The IUPAC name of 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid (CID 171474840) is 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid?
The canonical SMILES for 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid is O=C(O)c1cc2cnn(-c3ccncc3)c2cc1F.
What is the InChIKey of 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid?
The InChIKey is FUNKWNVRGFHEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2/c14-11-6-12-8(5-10(11)13(18)19)7-16-17(12)9-1-3-15-4-2-9/h1-7H,(H,18,19).
What are the key properties of 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid?
6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid has a molecular weight of 257.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-pyridin-4-ylindazole-5-carboxylic acid is sourced from PubChem (CID 171474840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).