(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

C11H10F3N3O — CID 86715639

IUPAC(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCn1cncc1C(O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-17-6-15-5-8(17)10(18)7-2-3-16-9(4-7)11(12,13)14/h2-6,10,18H,1H3
InChIKeyZSRIBMBALZAHGP-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.92
Rot. Bonds2

About (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol

(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 86715639) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID86715639
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESCn1cncc1C(O)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O/c1-17-6-15-5-8(17)10(18)7-2-3-16-9(4-7)11(12,13)14/h2-6,10,18H,1H3
InChIKeyZSRIBMBALZAHGP-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol (CID 86715639) is (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is Cn1cncc1C(O)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is ZSRIBMBALZAHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-6-15-5-8(17)10(18)7-2-3-16-9(4-7)11(12,13)14/h2-6,10,18H,1H3.
What are the key properties of (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol?
(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 257.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 86715639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).