4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol

C13H9ClF3NO — CID 2782995

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol
SMILESOc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H9ClF3NO/c14-11-6-9(13(15,16)17)7-18-12(11)5-8-1-3-10(19)4-2-8/h1-4,6-7,19H,5H2
InChIKeyWBOFSICGJKUPTH-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.05
Rot. Bonds2

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol (PubChem CID 2782995) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol
PubChem CID2782995
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol
SMILESOc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H9ClF3NO/c14-11-6-9(13(15,16)17)7-18-12(11)5-8-1-3-10(19)4-2-8/h1-4,6-7,19H,5H2
InChIKeyWBOFSICGJKUPTH-UHFFFAOYSA-N
XLogP4.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol (CID 2782995) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol is Oc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol?
The InChIKey is WBOFSICGJKUPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c14-11-6-9(13(15,16)17)7-18-12(11)5-8-1-3-10(19)4-2-8/h1-4,6-7,19H,5H2.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol has a molecular weight of 287.67 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenol is sourced from PubChem (CID 2782995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).