2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid

C9H5F3N2O2 — CID 164911076

IUPAC2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid
SMILESO=C(O)c1cc(F)c2nn(C(F)F)cc2c1
InChIInChI=1S/C9H5F3N2O2/c10-6-2-4(8(15)16)1-5-3-14(9(11)12)13-7(5)6/h1-3,9H,(H,15,16)
InChIKeyYASZKEVGBZCFFJ-UHFFFAOYSA-N
MW230.15 g/mol
LogP2.27
Rot. Bonds2

About 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid

2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid (PubChem CID 164911076) has the molecular formula C9H5F3N2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid
PubChem CID164911076
Molecular FormulaC9H5F3N2O2
Molecular Weight230.15 g/mol
Exact Mass230.03
IUPAC Name2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid
SMILESO=C(O)c1cc(F)c2nn(C(F)F)cc2c1
InChIInChI=1S/C9H5F3N2O2/c10-6-2-4(8(15)16)1-5-3-14(9(11)12)13-7(5)6/h1-3,9H,(H,15,16)
InChIKeyYASZKEVGBZCFFJ-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(difluoromethyl)thieno[3,2-c]pyrazole-5-carboxylic acid
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3,5-difluoro-4-sulfanylbenzoic acid
CID 63185525
3,5-difluoro-4-imidazol-1-ylbenzoic acid
CID 63078087
7-fluoro-3-[(2R)-2-methoxypropyl]benzimidazole-5-carboxylic acid
CID 175811846
6-(difluoromethyl)-5-fluoropyridine-3-carboxylic acid
CID 118826261
4-fluoro-2-(methylamino)-1,3-benzothiazole-6-carboxylic acid
CID 139407028
7-fluoro-1H-indole-5-carboxylic acid
CID 11564558
4-(1-carboxycyclobutyl)-3,5-difluorobenzoic acid
CID 117393397
7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 175811837

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid (CID 164911076) is 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid is O=C(O)c1cc(F)c2nn(C(F)F)cc2c1.
What is the InChIKey of 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid?
The InChIKey is YASZKEVGBZCFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2/c10-6-2-4(8(15)16)1-5-3-14(9(11)12)13-7(5)6/h1-3,9H,(H,15,16).
What are the key properties of 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid?
2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid has a molecular weight of 230.15 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-fluoroindazole-5-carboxylic acid is sourced from PubChem (CID 164911076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).