2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid

C11H7ClF3N3O2 — CID 141171104

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H7ClF3N3O2/c1-5-2-8(10(19)20)18(17-5)9-7(12)3-6(4-16-9)11(13,14)15/h2-4H,1H3,(H,19,20)
InChIKeyWNTBRJMQWVPVBE-UHFFFAOYSA-N
MW305.64 g/mol
LogP2.95
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 141171104) has the molecular formula C11H7ClF3N3O2 and a molecular weight of 305.64 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID141171104
Molecular FormulaC11H7ClF3N3O2
Molecular Weight305.64 g/mol
Exact Mass305.02
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C11H7ClF3N3O2/c1-5-2-8(10(19)20)18(17-5)9-7(12)3-6(4-16-9)11(13,14)15/h2-4H,1H3,(H,19,20)
InChIKeyWNTBRJMQWVPVBE-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chloropyridin-2-yl)-3-{[5-(trifluoromethyl)-2H-tetrazol-2-yl]methyl}-1H-pyrazole-5-carboxylic acid
CID 67289880
3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
CID 11587535
3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid
CID 1860644
2-(5-methyl-1H-pyrazol-1-yl)isonicotinic acid
CID 84777128
Methyl 3-(chloromethyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylate
CID 49850068
3-Chloro-1-(3-chloro-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 21107332
1-(3-chloropyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 50990496
5-(propan-2-yl)-1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 25312759
Methyl 1-(3-chloropyridin-2-yl)-3-(hydroxymethyl)-1H-pyrazole-5-carboxylate
CID 53235501
1-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 19624583
6-(1H-pyrazol-1-yl)pyridine-2-carboxylic acid
CID 54594501
1-(3-Chloropyridin-2-yl)-3-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CID 91262418

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid (CID 141171104) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(-c2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is WNTBRJMQWVPVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2/c1-5-2-8(10(19)20)18(17-5)9-7(12)3-6(4-16-9)11(13,14)15/h2-4H,1H3,(H,19,20).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 305.64 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 141171104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).