3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid

C9H5ClF2N2O2 — CID 166526134

IUPAC3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(Cl)n(C(F)F)nc2c1
InChIInChI=1S/C9H5ClF2N2O2/c10-7-5-2-1-4(8(15)16)3-6(5)13-14(7)9(11)12/h1-3,9H,(H,15,16)
InChIKeyKFIOWJZNDBWWSO-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.78
Rot. Bonds2

About 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid

3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid (PubChem CID 166526134) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid
PubChem CID166526134
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(Cl)n(C(F)F)nc2c1
InChIInChI=1S/C9H5ClF2N2O2/c10-7-5-2-1-4(8(15)16)3-6(5)13-14(7)9(11)12/h1-3,9H,(H,15,16)
InChIKeyKFIOWJZNDBWWSO-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid?
The IUPAC name of 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid (CID 166526134) is 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid?
The canonical SMILES for 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid is O=C(O)c1ccc2c(Cl)n(C(F)F)nc2c1.
What is the InChIKey of 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid?
The InChIKey is KFIOWJZNDBWWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c10-7-5-2-1-4(8(15)16)3-6(5)13-14(7)9(11)12/h1-3,9H,(H,15,16).
What are the key properties of 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid?
3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid has a molecular weight of 246.60 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)indazole-6-carboxylic acid is sourced from PubChem (CID 166526134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).