2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid

C10H6F3N3O2 — CID 174699543

IUPAC2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2cnc(C(F)(F)F)c2)c1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)7-4-16(5-15-7)8-3-6(9(17)18)1-2-14-8/h1-5H,(H,17,18)
InChIKeyHMURZYZCWQRUOM-UHFFFAOYSA-N
MW257.17 g/mol
LogP1.98
Rot. Bonds2

About 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid

2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 174699543) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid
PubChem CID174699543
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2cnc(C(F)(F)F)c2)c1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)7-4-16(5-15-7)8-3-6(9(17)18)1-2-14-8/h1-5H,(H,17,18)
InChIKeyHMURZYZCWQRUOM-UHFFFAOYSA-N
XLogP1.98
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid (CID 174699543) is 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2cnc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is HMURZYZCWQRUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)7-4-16(5-15-7)8-3-6(9(17)18)1-2-14-8/h1-5H,(H,17,18).
What are the key properties of 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid?
2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 257.17 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)imidazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 174699543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).