1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C16H10F4N4O2 — CID 141242026

IUPAC1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cnc(F)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1
InChIInChI=1S/C16H10F4N4O2/c1-8-5-9(14(17)21-6-8)11-3-2-4-12(23-11)24-13(16(18,19)20)10(7-22-24)15(25)26/h2-7H,1H3,(H,25,26)
InChIKeyLNGTUNGLCRJLMH-UHFFFAOYSA-N
MW366.27 g/mol
LogP3.49
Rot. Bonds3

About 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 141242026) has the molecular formula C16H10F4N4O2 and a molecular weight of 366.27 g/mol. Its IUPAC name is 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID141242026
Molecular FormulaC16H10F4N4O2
Molecular Weight366.27 g/mol
Exact Mass366.07
IUPAC Name1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cnc(F)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1
InChIInChI=1S/C16H10F4N4O2/c1-8-5-9(14(17)21-6-8)11-3-2-4-12(23-11)24-13(16(18,19)20)10(7-22-24)15(25)26/h2-7H,1H3,(H,25,26)
InChIKeyLNGTUNGLCRJLMH-UHFFFAOYSA-N
XLogP3.49
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2,4-dichlorophenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 68872265
1-[6-(5-formyl-2-methoxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 87662996
1-[6-[3-fluoro-5-methyl-2-[[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 59452021
1-[6-(3-propan-2-yloxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 126754445
1-[6-[2-[[2-methyl-4-(4-methylphenyl)phenyl]methoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 58270182
1-[6-[5-fluoro-2-[[4-(4-fluoro-2-methylphenyl)phenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 68922720
1-(5-fluoro-6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285397
1-[6-[2-[[4-(4-methoxyphenyl)-2-methylphenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 68870018
1-[6-[2-[[4-(1-acetylpiperidin-4-yl)-3-methylphenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 59452077
1-[6-[5-chloro-2-[[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3-pyridinyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25231700
1-[6-[2-[[4-(4-fluorophenyl)-2-(2-methoxyethoxy)phenyl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 68871250
1-[6-[2-[2-[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 54674615

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 141242026) is 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1cnc(F)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1.
What is the InChIKey of 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is LNGTUNGLCRJLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N4O2/c1-8-5-9(14(17)21-6-8)11-3-2-4-12(23-11)24-13(16(18,19)20)10(7-22-24)15(25)26/h2-7H,1H3,(H,25,26).
What are the key properties of 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 366.27 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 141242026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).