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

C10H8ClN3O3 — CID 50989286

IUPAC1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C10H8ClN3O3/c1-17-8-5-7(10(15)16)14(13-8)9-6(11)3-2-4-12-9/h2-5H,1H3,(H,15,16)
InChIKeyKXGMSASGPADUGR-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.63
Rot. Bonds3

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

1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid (PubChem CID 50989286) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid
PubChem CID50989286
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)n(-c2ncccc2Cl)n1
InChIInChI=1S/C10H8ClN3O3/c1-17-8-5-7(10(15)16)14(13-8)9-6(11)3-2-4-12-9/h2-5H,1H3,(H,15,16)
InChIKeyKXGMSASGPADUGR-UHFFFAOYSA-N
XLogP1.63
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid (CID 50989286) is 1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid is COc1cc(C(=O)O)n(-c2ncccc2Cl)n1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid?
The InChIKey is KXGMSASGPADUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c1-17-8-5-7(10(15)16)14(13-8)9-6(11)3-2-4-12-9/h2-5H,1H3,(H,15,16).
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid?
1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid has a molecular weight of 253.65 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carboxylic acid is sourced from PubChem (CID 50989286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).