4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol

C18H14F2N2O — CID 11652532

IUPAC4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol
SMILESOc1ccc(-c2cncc(NCc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C18H14F2N2O/c19-17-6-1-12(7-18(17)20)9-22-15-8-14(10-21-11-15)13-2-4-16(23)5-3-13/h1-8,10-11,22-23H,9H2
InChIKeyAUIZLHIMJRFGPG-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.34
Rot. Bonds4

About 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol

4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol (PubChem CID 11652532) has the molecular formula C18H14F2N2O and a molecular weight of 312.32 g/mol. Its IUPAC name is 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol
PubChem CID11652532
Molecular FormulaC18H14F2N2O
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol
SMILESOc1ccc(-c2cncc(NCc3ccc(F)c(F)c3)c2)cc1
InChIInChI=1S/C18H14F2N2O/c19-17-6-1-12(7-18(17)20)9-22-15-8-14(10-21-11-15)13-2-4-16(23)5-3-13/h1-8,10-11,22-23H,9H2
InChIKeyAUIZLHIMJRFGPG-UHFFFAOYSA-N
XLogP4.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol?
The IUPAC name of 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol (CID 11652532) is 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol.
What is the SMILES notation for 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol?
The canonical SMILES for 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol is Oc1ccc(-c2cncc(NCc3ccc(F)c(F)c3)c2)cc1.
What is the InChIKey of 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol?
The InChIKey is AUIZLHIMJRFGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O/c19-17-6-1-12(7-18(17)20)9-22-15-8-14(10-21-11-15)13-2-4-16(23)5-3-13/h1-8,10-11,22-23H,9H2.
What are the key properties of 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol?
4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol has a molecular weight of 312.32 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]phenol is sourced from PubChem (CID 11652532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).