5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid

C9H6ClN3O2 — CID 84688788

IUPAC5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-n2cc(Cl)cn2)c1
InChIInChI=1S/C9H6ClN3O2/c10-7-3-12-13(5-7)8-1-6(9(14)15)2-11-4-8/h1-5H,(H,14,15)
InChIKeyFECGQTHQJIJFAU-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.62
Rot. Bonds2

About 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid

5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 84688788) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID84688788
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-n2cc(Cl)cn2)c1
InChIInChI=1S/C9H6ClN3O2/c10-7-3-12-13(5-7)8-1-6(9(14)15)2-11-4-8/h1-5H,(H,14,15)
InChIKeyFECGQTHQJIJFAU-UHFFFAOYSA-N
XLogP1.62
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloropyrazol-1-yl)benzoic acid
CID 63942478
3-bromo-5-(4-chloropyrazol-1-yl)benzoic acid
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2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid
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4-chloro-1-(3,5-dichlorophenyl)pyrazole
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1-[3-(4-chloropyrazol-1-yl)phenyl]ethanone
CID 79168154
6-(4-chloropyrazol-1-yl)pyrazine-2-carboxylic acid
CID 66456664
6-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid
CID 61036048
5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid
CID 79694566
5-(4-formyl-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 165453145
5-(2,5-dioxopyrrol-1-yl)pyridine-3-carboxylic acid
CID 63154194
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
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pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid (CID 84688788) is 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-n2cc(Cl)cn2)c1.
What is the InChIKey of 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is FECGQTHQJIJFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-7-3-12-13(5-7)8-1-6(9(14)15)2-11-4-8/h1-5H,(H,14,15).
What are the key properties of 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid?
5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 84688788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).