5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid

C11H10ClN3O2 — CID 118408988

IUPAC5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ncc1-c1c(Cl)cnn1C
InChIInChI=1S/C11H10ClN3O2/c1-6-3-9(11(16)17)13-4-7(6)10-8(12)5-14-15(10)2/h3-5H,1-2H3,(H,16,17)
InChIKeyKOSBTEQBWWBSGJ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.14
Rot. Bonds2

About 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid

5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid (PubChem CID 118408988) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid
PubChem CID118408988
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid
SMILESCc1cc(C(=O)O)ncc1-c1c(Cl)cnn1C
InChIInChI=1S/C11H10ClN3O2/c1-6-3-9(11(16)17)13-4-7(6)10-8(12)5-14-15(10)2/h3-5H,1-2H3,(H,16,17)
InChIKeyKOSBTEQBWWBSGJ-UHFFFAOYSA-N
XLogP2.14
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid?
The IUPAC name of 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid (CID 118408988) is 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid is Cc1cc(C(=O)O)ncc1-c1c(Cl)cnn1C.
What is the InChIKey of 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid?
The InChIKey is KOSBTEQBWWBSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-3-9(11(16)17)13-4-7(6)10-8(12)5-14-15(10)2/h3-5H,1-2H3,(H,16,17).
What are the key properties of 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid?
5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-methylpyrazol-5-yl)-4-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 118408988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).