4,5-dimethyl-2-pyridin-3-ylphenol

C13H13NO — CID 11542953

IUPAC4,5-dimethyl-2-pyridin-3-ylphenol
SMILESCc1cc(O)c(-c2cccnc2)cc1C
InChIInChI=1S/C13H13NO/c1-9-6-12(13(15)7-10(9)2)11-4-3-5-14-8-11/h3-8,15H,1-2H3
InChIKeyAXFJANUFWXXUTF-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.07
Rot. Bonds1

About 4,5-dimethyl-2-pyridin-3-ylphenol

4,5-dimethyl-2-pyridin-3-ylphenol (PubChem CID 11542953) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyridin-3-ylphenol.

Molecular Properties

Compound Name4,5-dimethyl-2-pyridin-3-ylphenol
PubChem CID11542953
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4,5-dimethyl-2-pyridin-3-ylphenol
SMILESCc1cc(O)c(-c2cccnc2)cc1C
InChIInChI=1S/C13H13NO/c1-9-6-12(13(15)7-10(9)2)11-4-3-5-14-8-11/h3-8,15H,1-2H3
InChIKeyAXFJANUFWXXUTF-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
CID 46316767
3-(2-methylphenyl)pyridine
CID 4133191
4-methyl-5-pyridin-3-ylpyridin-3-ol
CID 175581528
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
2-(2-methylphenyl)-4-pyridin-3-ylbenzene-1,3-diol
CID 15509097
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980
5-methyl-4-phenyl-2-pyridin-3-ylaniline
CID 174549338
3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
CID 59649089

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyridin-3-ylphenol?
The IUPAC name of 4,5-dimethyl-2-pyridin-3-ylphenol (CID 11542953) is 4,5-dimethyl-2-pyridin-3-ylphenol.
What is the SMILES notation for 4,5-dimethyl-2-pyridin-3-ylphenol?
The canonical SMILES for 4,5-dimethyl-2-pyridin-3-ylphenol is Cc1cc(O)c(-c2cccnc2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-pyridin-3-ylphenol?
The InChIKey is AXFJANUFWXXUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-6-12(13(15)7-10(9)2)11-4-3-5-14-8-11/h3-8,15H,1-2H3.
What are the key properties of 4,5-dimethyl-2-pyridin-3-ylphenol?
4,5-dimethyl-2-pyridin-3-ylphenol has a molecular weight of 199.25 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyridin-3-ylphenol is sourced from PubChem (CID 11542953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).