5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid

C10H8ClN3O3 — CID 81341368

IUPAC5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ncc(C(=O)O)cc2Cl)n[nH]1
InChIInChI=1S/C10H8ClN3O3/c1-5-2-8(14-13-5)17-9-7(11)3-6(4-12-9)10(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyFHTHLCQPDSQDIM-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.26
Rot. Bonds3

About 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid

5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid (PubChem CID 81341368) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
PubChem CID81341368
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
SMILESCc1cc(Oc2ncc(C(=O)O)cc2Cl)n[nH]1
InChIInChI=1S/C10H8ClN3O3/c1-5-2-8(14-13-5)17-9-7(11)3-6(4-12-9)10(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyFHTHLCQPDSQDIM-UHFFFAOYSA-N
XLogP2.26
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid (CID 81341368) is 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid is Cc1cc(Oc2ncc(C(=O)O)cc2Cl)n[nH]1.
What is the InChIKey of 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid?
The InChIKey is FHTHLCQPDSQDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c1-5-2-8(14-13-5)17-9-7(11)3-6(4-12-9)10(15)16/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid?
5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid has a molecular weight of 253.65 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81341368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).