3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid

C9H6F3N3O2 — CID 21409217

IUPAC3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid
SMILESNc1c2cc(C(F)(F)F)ccc2nn1C(=O)O
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)4-1-2-6-5(3-4)7(13)15(14-6)8(16)17/h1-3H,13H2,(H,16,17)
InChIKeyUNDWUMOWSIHOMF-UHFFFAOYSA-N
MW245.16 g/mol
LogP2.16
Rot. Bonds

About 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid

3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid (PubChem CID 21409217) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid
PubChem CID21409217
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid
SMILESNc1c2cc(C(F)(F)F)ccc2nn1C(=O)O
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)4-1-2-6-5(3-4)7(13)15(14-6)8(16)17/h1-3H,13H2,(H,16,17)
InChIKeyUNDWUMOWSIHOMF-UHFFFAOYSA-N
XLogP2.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(trifluoromethyl)indazole-1-carboxylic acid
CID 21409193
3,4-diamino-6-(trifluoromethyl)quinazolin-2-one
CID 59320586
2,6-bis(trifluoromethyl)quinoline-4-carboxamide
CID 97054560
methyl 3-amino-5-(trifluoromethyl)indazole-1-carboxylate
CID 54267084
N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide
CID 82574503
3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482321
2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
CID 71223421
3-nitro-6-(trifluoromethyl)quinolin-4-amine
CID 126712327
4-amino-6-(trifluoromethyl)quinoline-2-carbonitrile
CID 152757537
3-bromo-2,4-dichloro-6-(trifluoromethyl)quinoline
CID 97181858
6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
methyl 2,6-bis(trifluoromethyl)quinoline-4-carboxylate
CID 125494080

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid?
The IUPAC name of 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid (CID 21409217) is 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid is Nc1c2cc(C(F)(F)F)ccc2nn1C(=O)O.
What is the InChIKey of 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid?
The InChIKey is UNDWUMOWSIHOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)4-1-2-6-5(3-4)7(13)15(14-6)8(16)17/h1-3H,13H2,(H,16,17).
What are the key properties of 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid?
3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid has a molecular weight of 245.16 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(trifluoromethyl)indazole-2-carboxylic acid is sourced from PubChem (CID 21409217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).