5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid

C11H9Cl2N3O2 — CID 62130866

IUPAC5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1nn(-c2ncc(C(=O)O)cc2Cl)c(C)c1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-5-9(13)6(2)16(15-5)10-8(12)3-7(4-14-10)11(17)18/h3-4H,1-2H3,(H,17,18)
InChIKeyNRFMLRUUZCJZPK-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.89
Rot. Bonds2

About 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid

5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid (PubChem CID 62130866) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid
PubChem CID62130866
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Name5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid
SMILESCc1nn(-c2ncc(C(=O)O)cc2Cl)c(C)c1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-5-9(13)6(2)16(15-5)10-8(12)3-7(4-14-10)11(17)18/h3-4H,1-2H3,(H,17,18)
InChIKeyNRFMLRUUZCJZPK-UHFFFAOYSA-N
XLogP2.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3,5-dimethylpyrazol-1-yl)isoquinoline-4-carboxylic acid
CID 106765733
4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 62129845
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80632665
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-methylpyridin-3-amine
CID 62476725
2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 79631899
5-chloro-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 19869906
1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 79733363
5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43187330
5-chloro-6-[3-(diethylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 63537204
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040
5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 62775906
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid (CID 62130866) is 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid is Cc1nn(-c2ncc(C(=O)O)cc2Cl)c(C)c1Cl.
What is the InChIKey of 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid?
The InChIKey is NRFMLRUUZCJZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-5-9(13)6(2)16(15-5)10-8(12)3-7(4-14-10)11(17)18/h3-4H,1-2H3,(H,17,18).
What are the key properties of 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid?
5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid has a molecular weight of 286.12 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62130866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).