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

C18H13F2NO2 — CID 122186027

IUPAC2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol
SMILESCOc1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C18H13F2NO2/c1-23-13-4-2-11(3-5-13)14-6-7-21-10-15(14)12-8-16(19)18(22)17(20)9-12/h2-10,22H,1H3
InChIKeyLNVRALGTJWRQTK-UHFFFAOYSA-N
MW313.30 g/mol
LogP4.41
Rot. Bonds3

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

2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol (PubChem CID 122186027) has the molecular formula C18H13F2NO2 and a molecular weight of 313.30 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol
PubChem CID122186027
Molecular FormulaC18H13F2NO2
Molecular Weight313.30 g/mol
Exact Mass313.09
IUPAC Name2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol
SMILESCOc1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C18H13F2NO2/c1-23-13-4-2-11(3-5-13)14-6-7-21-10-15(14)12-8-16(19)18(22)17(20)9-12/h2-10,22H,1H3
InChIKeyLNVRALGTJWRQTK-UHFFFAOYSA-N
XLogP4.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
L-826,141
CID 9916436
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
5-Hexyl-2-pyridin-4-yloxyphenol
CID 44450160
5-Hexyl-2-pyridin-2-yloxyphenol
CID 44450183
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769
(3-Pyridylmethylene)indane 11b
CID 6539770
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol (CID 122186027) is 2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol is COc1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cc1.
What is the InChIKey of 2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol?
The InChIKey is LNVRALGTJWRQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO2/c1-23-13-4-2-11(3-5-13)14-6-7-21-10-15(14)12-8-16(19)18(22)17(20)9-12/h2-10,22H,1H3.
What are the key properties of 2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol?
2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol has a molecular weight of 313.30 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(4-methoxyphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 122186027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).