6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C19H14F6N4O2 — CID 59646014

IUPAC6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2nc(C(F)(F)F)c(C(F)(F)F)[nH]2)n1
InChIInChI=1S/C19H14F6N4O2/c1-17(2,12-8-4-6-10(27-12)16(30)31)11-7-3-5-9(26-11)15-28-13(18(20,21)22)14(29-15)19(23,24)25/h3-8H,1-2H3,(H,28,29)(H,30,31)
InChIKeyKUBFMNXUVQKXFP-UHFFFAOYSA-N
MW444.34 g/mol
LogP4.93
Rot. Bonds4

About 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59646014) has the molecular formula C19H14F6N4O2 and a molecular weight of 444.34 g/mol. Its IUPAC name is 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID59646014
Molecular FormulaC19H14F6N4O2
Molecular Weight444.34 g/mol
Exact Mass444.10
IUPAC Name6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2nc(C(F)(F)F)c(C(F)(F)F)[nH]2)n1
InChIInChI=1S/C19H14F6N4O2/c1-17(2,12-8-4-6-10(27-12)16(30)31)11-7-3-5-9(26-11)15-28-13(18(20,21)22)14(29-15)19(23,24)25/h3-8H,1-2H3,(H,28,29)(H,30,31)
InChIKeyKUBFMNXUVQKXFP-UHFFFAOYSA-N
XLogP4.93
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)picolinic acid
CID 46885312
6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)picolinic acid
CID 46885313
6-(2-Benzimidazolyl)pyridine-2-carboxylic acid
CID 85662837
6-(Trifluoromethyl)-1H-pyrrolo[2,3-B]pyridine-2-carboxylic acid
CID 45073277
6-[2-[6-[4,5-Bis(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
CID 59646013
2-tert-butyl-4-(2,6-difluoro-3-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 89571218
6-[(7-Amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 156757389
3-amino-6-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 174729012
6-[(E)-3-amino-4,4,4-trifluoro-1-iminobut-2-en-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 177116721
6-[2-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59645678
6-[2-[6-[6-(Trifluoromethyl)purin-9-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
CID 59646025
6-phenyl-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 66520759

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59646014) is 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2nc(C(F)(F)F)c(C(F)(F)F)[nH]2)n1.
What is the InChIKey of 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is KUBFMNXUVQKXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N4O2/c1-17(2,12-8-4-6-10(27-12)16(30)31)11-7-3-5-9(26-11)15-28-13(18(20,21)22)14(29-15)19(23,24)25/h3-8H,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 444.34 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[4,5-bis(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59646014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).