3-fluoro-2H-indazole-5-carboxylic acid

C8H5FN2O2 — CID 118879459

IUPAC3-fluoro-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]c(F)c2c1
InChIInChI=1S/C8H5FN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKeyVSKKSLJHPOZGGI-UHFFFAOYSA-N
MW180.14 g/mol
LogP1.40
Rot. Bonds1

About 3-fluoro-2H-indazole-5-carboxylic acid

3-fluoro-2H-indazole-5-carboxylic acid (PubChem CID 118879459) has the molecular formula C8H5FN2O2 and a molecular weight of 180.14 g/mol. Its IUPAC name is 3-fluoro-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2H-indazole-5-carboxylic acid
PubChem CID118879459
Molecular FormulaC8H5FN2O2
Molecular Weight180.14 g/mol
Exact Mass180.03
IUPAC Name3-fluoro-2H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]c(F)c2c1
InChIInChI=1S/C8H5FN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKeyVSKKSLJHPOZGGI-UHFFFAOYSA-N
XLogP1.40
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.14
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-2H-indazole-5-carboxylic acid
CID 83483911
3-[(E)-hydroxyiminomethyl]-2H-indazole-5-carboxylic acid
CID 155646496
3-(2-methylpropyl)-2H-indazole-5-carboxylic acid
CID 105472301
3-cyclopentyl-2H-indazole-5-carboxylic acid
CID 105487831
3-heptan-4-yl-2H-indazole-5-carboxylic acid
CID 175746520
3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218370
3-fluoro-4-methylcinnoline-6-carboxylic acid
CID 150342725
(3-fluoro-2H-indazol-5-yl)methanamine
CID 167375021
N-[4-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]phenyl]acetamide
CID 176655406
5-[(Z)-1-(6-ethoxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-2H-indazole
CID 134543357
7-[4-[(E)-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]-1-pyrrolidin-1-ylheptan-1-one
CID 147416727
ethane;5-[(Z)-1-(6-ethoxy-3-pyridinyl)-4,4,4-trifluoro-2-phenylbut-1-enyl]-3-fluoro-2H-indazole
CID 156742607

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-fluoro-2H-indazole-5-carboxylic acid (CID 118879459) is 3-fluoro-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-fluoro-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-fluoro-2H-indazole-5-carboxylic acid is O=C(O)c1ccc2n[nH]c(F)c2c1.
What is the InChIKey of 3-fluoro-2H-indazole-5-carboxylic acid?
The InChIKey is VSKKSLJHPOZGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 3-fluoro-2H-indazole-5-carboxylic acid?
3-fluoro-2H-indazole-5-carboxylic acid has a molecular weight of 180.14 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 118879459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).