3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol

C13H10F3NO — CID 56715272

IUPAC3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESCc1cc(C(F)(F)F)cc(-c2cccc(O)c2)n1
InChIInChI=1S/C13H10F3NO/c1-8-5-10(13(14,15)16)7-12(17-8)9-3-2-4-11(18)6-9/h2-7,18H,1H3
InChIKeyDCTBEGSBZFXFLT-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.78
Rot. Bonds1

About 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol

3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol (PubChem CID 56715272) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol
PubChem CID56715272
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol
SMILESCc1cc(C(F)(F)F)cc(-c2cccc(O)c2)n1
InChIInChI=1S/C13H10F3NO/c1-8-5-10(13(14,15)16)7-12(17-8)9-3-2-4-11(18)6-9/h2-7,18H,1H3
InChIKeyDCTBEGSBZFXFLT-UHFFFAOYSA-N
XLogP3.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

NoName_714
CID 135489221
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
4-(Pyridin-2-ylmethyl)phenol
CID 603599
2-Fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
CID 134158354
4-[6-(4-Hydroxyphenyl)pyridin-2-yl]phenol
CID 647743
3-[(E)-2-quinolin-2-ylethenyl]phenol
CID 6223893
3-[2-(2-Pyridinyl)ethyl]phenol
CID 226651
2-Acridinol
CID 31532
6-Hydroxy-2-methylquinoline
CID 594395
2-(3-Hydroxyphenyl)quinolin-6-ol
CID 25069444
2,6-Bis(3-hydroxyphenyl)-4-phenylpyridine
CID 46887181

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
The IUPAC name of 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol (CID 56715272) is 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
The canonical SMILES for 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol is Cc1cc(C(F)(F)F)cc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
The InChIKey is DCTBEGSBZFXFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-8-5-10(13(14,15)16)7-12(17-8)9-3-2-4-11(18)6-9/h2-7,18H,1H3.
What are the key properties of 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol?
3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol has a molecular weight of 253.22 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]phenol is sourced from PubChem (CID 56715272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).