4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid

C10H8ClN3O2 — CID 81230310

IUPAC4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1nn(-c2ccncc2C(=O)O)cc1Cl
InChIInChI=1S/C10H8ClN3O2/c1-6-8(11)5-14(13-6)9-2-3-12-4-7(9)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyCSOUMIIXLYRGPH-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.93
Rot. Bonds2

About 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid

4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 81230310) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID81230310
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1nn(-c2ccncc2C(=O)O)cc1Cl
InChIInChI=1S/C10H8ClN3O2/c1-6-8(11)5-14(13-6)9-2-3-12-4-7(9)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyCSOUMIIXLYRGPH-UHFFFAOYSA-N
XLogP1.93
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid (CID 81230310) is 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid is Cc1nn(-c2ccncc2C(=O)O)cc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is CSOUMIIXLYRGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c1-6-8(11)5-14(13-6)9-2-3-12-4-7(9)10(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid?
4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 237.65 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylpyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81230310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).