2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol

C18H13F2NO — CID 122186019

IUPAC2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol
SMILESCc1cccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C18H13F2NO/c1-11-3-2-4-12(7-11)14-5-6-21-10-15(14)13-8-16(19)18(22)17(20)9-13/h2-10,22H,1H3
InChIKeyRXJKIHBSKCIXKE-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.71
Rot. Bonds2

About 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol

2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol (PubChem CID 122186019) has the molecular formula C18H13F2NO and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol
PubChem CID122186019
Molecular FormulaC18H13F2NO
Molecular Weight297.30 g/mol
Exact Mass297.10
IUPAC Name2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol
SMILESCc1cccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C18H13F2NO/c1-11-3-2-4-12(7-11)14-5-6-21-10-15(14)13-8-16(19)18(22)17(20)9-13/h2-10,22H,1H3
InChIKeyRXJKIHBSKCIXKE-UHFFFAOYSA-N
XLogP4.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
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Cyprolidol
CID 199758
alpha,alpha-Diphenyl-4-pyridinemethanol
CID 74177
6-Pyridin-3-ylnaphthalen-2-ol
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5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
6-(3,4-Difluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033652
4-[5-(Pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]benzene-1,2-diol
CID 25033660
4-[5-(Pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzene-1,2-diol
CID 25033728
6-(4-Fluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033730
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol (CID 122186019) is 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol is Cc1cccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)c1.
What is the InChIKey of 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol?
The InChIKey is RXJKIHBSKCIXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO/c1-11-3-2-4-12(7-11)14-5-6-21-10-15(14)13-8-16(19)18(22)17(20)9-13/h2-10,22H,1H3.
What are the key properties of 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol?
2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol has a molecular weight of 297.30 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(3-methylphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 122186019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).