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

C10H8ClN3O3 — CID 58320703

IUPAC1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(CO)nn1-c1ncccc1Cl
InChIInChI=1S/C10H8ClN3O3/c11-7-2-1-3-12-9(7)14-8(10(16)17)4-6(5-15)13-14/h1-4,15H,5H2,(H,16,17)
InChIKeyWVTHOBYMAPWHOY-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.11
Rot. Bonds3

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

1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid (PubChem CID 58320703) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
PubChem CID58320703
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(CO)nn1-c1ncccc1Cl
InChIInChI=1S/C10H8ClN3O3/c11-7-2-1-3-12-9(7)14-8(10(16)17)4-6(5-15)13-14/h1-4,15H,5H2,(H,16,17)
InChIKeyWVTHOBYMAPWHOY-UHFFFAOYSA-N
XLogP1.11
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-2-pyridinyl)-3-(nitrosomethyl)pyrazole-5-carboxylic acid
CID 123366023
1-(3-chloro-2-pyridinyl)-3-formylpyrazole-5-carboxylic acid
CID 118413128
1-(3-chloro-2-pyridinyl)-3-ethoxypyrazole-5-carboxylic acid
CID 90391350
3-[(4-chloroindazol-1-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 167472705
1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxylic acid
CID 67289880
1-(3-chloro-2-pyridinyl)-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-5-carboxylic acid
CID 141425381
1-(3-chloro-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyrazole-5-carboxylic acid
CID 21113385
2-(3-chloro-2-pyridinyl)pyrazole-3-carboxylic acid
CID 66853862
3-[[3,5-bis(trifluoromethyl)-1,5-dihydropyrazol-2-yl]methyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 146311948
ethyl 1-(3-chloro-2-pyridinyl)-3-propylpyrazole-5-carboxylate
CID 70831964
1-[1-(3-chloro-2-pyridinyl)-5-methylpyrazol-3-yl]ethanone
CID 141002934
3-bromo-4-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylic acid
CID 141331734

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid (CID 58320703) is 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid is O=C(O)c1cc(CO)nn1-c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid?
The InChIKey is WVTHOBYMAPWHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c11-7-2-1-3-12-9(7)14-8(10(16)17)4-6(5-15)13-14/h1-4,15H,5H2,(H,16,17).
What are the key properties of 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid?
1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid has a molecular weight of 253.65 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 58320703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).