3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid

C10H5ClF3N3O2 — CID 69085891

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H5ClF3N3O2/c11-6-1-5(10(12,13)14)2-16-8(6)17-4-15-3-7(17)9(18)19/h1-4H,(H,18,19)
InChIKeyOCJSFGMRYUCESD-UHFFFAOYSA-N
MW291.62 g/mol
LogP2.64
Rot. Bonds2

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid (PubChem CID 69085891) has the molecular formula C10H5ClF3N3O2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid
PubChem CID69085891
Molecular FormulaC10H5ClF3N3O2
Molecular Weight291.62 g/mol
Exact Mass291.00
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cncn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H5ClF3N3O2/c11-6-1-5(10(12,13)14)2-16-8(6)17-4-15-3-7(17)9(18)19/h1-4H,(H,18,19)
InChIKeyOCJSFGMRYUCESD-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-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

2-bromo-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]ethanone
CID 87686993
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-phenylimidazole-4-carboxamide
CID 27888825
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 43168599
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] benzoate
CID 1483732
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]acetic acid
CID 61370313
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 134852262
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-phenylphenyl)pyrrole-2-carboxamide
CID 69086376

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid (CID 69085891) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid is O=C(O)c1cncn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid?
The InChIKey is OCJSFGMRYUCESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N3O2/c11-6-1-5(10(12,13)14)2-16-8(6)17-4-15-3-7(17)9(18)19/h1-4H,(H,18,19).
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid has a molecular weight of 291.62 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 69085891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).