1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid

C10H5BrF3N3O2 — CID 106796777

IUPAC1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C10H5BrF3N3O2/c11-6-1-7(10(12,13)14)8(15-3-6)17-4-5(2-16-17)9(18)19/h1-4H,(H,18,19)
InChIKeyHTJCNXVHALNCJO-UHFFFAOYSA-N
MW336.07 g/mol
LogP2.75
Rot. Bonds2

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

1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid (PubChem CID 106796777) has the molecular formula C10H5BrF3N3O2 and a molecular weight of 336.07 g/mol. Its IUPAC name is 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
PubChem CID106796777
Molecular FormulaC10H5BrF3N3O2
Molecular Weight336.07 g/mol
Exact Mass334.95
IUPAC Name1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncc(Br)cc2C(F)(F)F)c1
InChIInChI=1S/C10H5BrF3N3O2/c11-6-1-7(10(12,13)14)8(15-3-6)17-4-5(2-16-17)9(18)19/h1-4H,(H,18,19)
InChIKeyHTJCNXVHALNCJO-UHFFFAOYSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.07
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid
CID 103583920
5-bromo-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)pyridine
CID 106797313
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106797048
5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carboxylic acid
CID 80631790
2-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-hydroxyacetic acid
CID 90900248
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 106796775
1-(4-bromo-3-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121157
1-(3-bromo-4-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121228
3-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 106796769
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid (CID 106796777) is 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ncc(Br)cc2C(F)(F)F)c1.
What is the InChIKey of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
The InChIKey is HTJCNXVHALNCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N3O2/c11-6-1-7(10(12,13)14)8(15-3-6)17-4-5(2-16-17)9(18)19/h1-4H,(H,18,19).
What are the key properties of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid?
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid has a molecular weight of 336.07 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 106796777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).