1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid

C11H9ClFN3O2 — CID 79733363

IUPAC1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ncc(Cl)cc2F)c(C)c1C(=O)O
InChIInChI=1S/C11H9ClFN3O2/c1-5-9(11(17)18)6(2)16(15-5)10-8(13)3-7(12)4-14-10/h3-4H,1-2H3,(H,17,18)
InChIKeyFEPBPQYDONJGPG-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.37
Rot. Bonds2

About 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid

1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid (PubChem CID 79733363) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid
PubChem CID79733363
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Name1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(-c2ncc(Cl)cc2F)c(C)c1C(=O)O
InChIInChI=1S/C11H9ClFN3O2/c1-5-9(11(17)18)6(2)16(15-5)10-8(13)3-7(12)4-14-10/h3-4H,1-2H3,(H,17,18)
InChIKeyFEPBPQYDONJGPG-UHFFFAOYSA-N
XLogP2.37
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromo-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 114046914
5-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 62130866
3,5-dimethyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrazole-4-carboxylic acid
CID 62940986
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79727906
3,5-dimethyl-1-(6-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 106973536
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335489
1-(1H-indazol-3-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 13349347
5-chloro-2-(3,5-diethyl-1,2,4-triazol-1-yl)-3-fluoropyridine
CID 79728001
1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39348257
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
3,5-dimethyl-1-(1-methyl-4-nitropyrazol-3-yl)pyrazole-4-carboxylic acid
CID 103080478

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid (CID 79733363) is 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid is Cc1nn(-c2ncc(Cl)cc2F)c(C)c1C(=O)O.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid?
The InChIKey is FEPBPQYDONJGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-5-9(11(17)18)6(2)16(15-5)10-8(13)3-7(12)4-14-10/h3-4H,1-2H3,(H,17,18).
What are the key properties of 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid?
1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid has a molecular weight of 269.66 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 79733363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).