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

C17H12F2N2O2 — CID 122186030

IUPAC2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol
SMILESCOc1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cn1
InChIInChI=1S/C17H12F2N2O2/c1-23-16-3-2-10(8-21-16)12-4-5-20-9-13(12)11-6-14(18)17(22)15(19)7-11/h2-9,22H,1H3
InChIKeyNKBWZEGVHYSODY-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.80
Rot. Bonds3

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

2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol (PubChem CID 122186030) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol
PubChem CID122186030
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol
SMILESCOc1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cn1
InChIInChI=1S/C17H12F2N2O2/c1-23-16-3-2-10(8-21-16)12-4-5-20-9-13(12)11-6-14(18)17(22)15(19)7-11/h2-9,22H,1H3
InChIKeyNKBWZEGVHYSODY-UHFFFAOYSA-N
XLogP3.80
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol?
The IUPAC name of 2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol (CID 122186030) is 2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol is COc1ccc(-c2ccncc2-c2cc(F)c(O)c(F)c2)cn1.
What is the InChIKey of 2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol?
The InChIKey is NKBWZEGVHYSODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-23-16-3-2-10(8-21-16)12-4-5-20-9-13(12)11-6-14(18)17(22)15(19)7-11/h2-9,22H,1H3.
What are the key properties of 2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol?
2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol has a molecular weight of 314.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[4-(6-methoxy-3-pyridinyl)-3-pyridinyl]phenol is sourced from PubChem (CID 122186030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).