3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid

C9H5Cl2N3O2 — CID 21107332

IUPAC3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C9H5Cl2N3O2/c10-5-2-1-3-12-8(5)14-6(9(15)16)4-7(11)13-14/h1-4H,(H,15,16)
InChIKeyCKAATYOECWZFCI-UHFFFAOYSA-N
MW258.06 g/mol
LogP2.27
Rot. Bonds2

About 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid

3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid (PubChem CID 21107332) has the molecular formula C9H5Cl2N3O2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
PubChem CID21107332
Molecular FormulaC9H5Cl2N3O2
Molecular Weight258.06 g/mol
Exact Mass256.98
IUPAC Name3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C9H5Cl2N3O2/c10-5-2-1-3-12-8(5)14-6(9(15)16)4-7(11)13-14/h1-4H,(H,15,16)
InChIKeyCKAATYOECWZFCI-UHFFFAOYSA-N
XLogP2.27
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid (CID 21107332) is 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(Cl)nn1-c1ncccc1Cl.
What is the InChIKey of 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
The InChIKey is CKAATYOECWZFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O2/c10-5-2-1-3-12-8(5)14-6(9(15)16)4-7(11)13-14/h1-4H,(H,15,16).
What are the key properties of 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid?
3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid has a molecular weight of 258.06 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 21107332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).