1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid

C10H8ClN3O3 — CID 58386073

IUPAC1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cn2)cc1CO
InChIInChI=1S/C10H8ClN3O3/c11-7-1-2-8(12-3-7)14-4-6(5-15)9(13-14)10(16)17/h1-4,15H,5H2,(H,16,17)
InChIKeyHPQJHCMUCOGETA-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.11
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid

1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid (PubChem CID 58386073) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
PubChem CID58386073
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccc(Cl)cn2)cc1CO
InChIInChI=1S/C10H8ClN3O3/c11-7-1-2-8(12-3-7)14-4-6(5-15)9(13-14)10(16)17/h1-4,15H,5H2,(H,16,17)
InChIKeyHPQJHCMUCOGETA-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid (CID 58386073) is 1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccc(Cl)cn2)cc1CO.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is HPQJHCMUCOGETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c11-7-1-2-8(12-3-7)14-4-6(5-15)9(13-14)10(16)17/h1-4,15H,5H2,(H,16,17).
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid?
1-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-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-(5-chloro-2-pyridinyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 58386073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).