5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride

C9H9Cl2N3O2 — CID 121229973

IUPAC5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C9H7N3O2.2ClH/c13-9(14)6-5-11-12-8(6)7-3-1-2-4-10-7;;/h1-5H,(H,11,12)(H,13,14);2*1H
InChIKeyYBUVNTPKGQYMPA-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.01
Rot. Bonds2

About 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride

5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride (PubChem CID 121229973) has the molecular formula C9H9Cl2N3O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride
PubChem CID121229973
Molecular FormulaC9H9Cl2N3O2
Molecular Weight262.10 g/mol
Exact Mass261.01
IUPAC Name5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)c1cn[nH]c1-c1ccccn1
InChIInChI=1S/C9H7N3O2.2ClH/c13-9(14)6-5-11-12-8(6)7-3-1-2-4-10-7;;/h1-5H,(H,11,12)(H,13,14);2*1H
InChIKeyYBUVNTPKGQYMPA-UHFFFAOYSA-N
XLogP2.01
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride?
The IUPAC name of 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride (CID 121229973) is 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride.
What is the SMILES notation for 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride?
The canonical SMILES for 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)c1cn[nH]c1-c1ccccn1.
What is the InChIKey of 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride?
The InChIKey is YBUVNTPKGQYMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2.2ClH/c13-9(14)6-5-11-12-8(6)7-3-1-2-4-10-7;;/h1-5H,(H,11,12)(H,13,14);2*1H.
What are the key properties of 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride?
5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride has a molecular weight of 262.10 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-1H-pyrazole-4-carboxylic acid;dihydrochloride is sourced from PubChem (CID 121229973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).