1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid

C15H11FN2O2 — CID 63106124

IUPAC1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C15H11FN2O2/c16-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20)
InChIKeyDJUGHWKHZVSBHP-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.92
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid

1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid (PubChem CID 63106124) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
PubChem CID63106124
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C15H11FN2O2/c16-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20)
InChIKeyDJUGHWKHZVSBHP-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124695
1-[(4-phenylphenyl)methyl]indazole-3-carboxylic acid
CID 11515406
2-[[2-[[1-[(3-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]acetic acid
CID 58124548
1-benzylindazole-3-carboxylate
CID 22239042
1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55178017
1-[(3-chloroquinolin-6-yl)methyl]indazole-3-carboxylic acid;methanol
CID 145441066
1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid
CID 64771668
1-[(3-fluorophenyl)methyl]benzotriazole-4-carboxylic acid
CID 115541625
1-[(4-cyanophenyl)methyl]-5-fluoroindazole-3-carboxylic acid
CID 66857727
1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
CID 64566513
1-(5-fluoropentyl)indazole-3-carboxylic acid
CID 102334108
1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55177822

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid (CID 63106124) is 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid is O=C(O)c1nn(Cc2cccc(F)c2)c2ccccc12.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid?
The InChIKey is DJUGHWKHZVSBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20).
What are the key properties of 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid?
1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 63106124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).