(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

C11H8F3N3O — CID 86715442

IUPAC(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCn1cncc1C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H8F3N3O/c1-17-6-15-5-8(17)10(18)7-2-3-9(16-4-7)11(12,13)14/h2-6H,1H3
InChIKeyNFMVJPBTBDHHME-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.06
Rot. Bonds2

About (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 86715442) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID86715442
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCn1cncc1C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H8F3N3O/c1-17-6-15-5-8(17)10(18)7-2-3-9(16-4-7)11(12,13)14/h2-6H,1H3
InChIKeyNFMVJPBTBDHHME-UHFFFAOYSA-N
XLogP2.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
(4-ethylsulfonylphenyl)-(3-methylimidazol-4-yl)methanone
CID 71711772
(3-methylimidazol-4-yl)-(4-propoxyphenyl)methanone
CID 82895564
2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 82896310
2-fluoro-5-(3-methylimidazole-4-carbonyl)benzonitrile
CID 71711704
(3-bromophenyl)-(3-methylimidazol-4-yl)methanone
CID 35580673
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 51931215
N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843302
2-bromo-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone;hydrobromide
CID 131636933
(3-methylimidazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 82895472
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 86715442) is (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is Cn1cncc1C(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is NFMVJPBTBDHHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c1-17-6-15-5-8(17)10(18)7-2-3-9(16-4-7)11(12,13)14/h2-6H,1H3.
What are the key properties of (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 255.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 86715442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).