2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol

C17H10Cl2FNO — CID 122186031

IUPAC2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol
SMILESOc1c(Cl)cc(-c2cnccc2-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H10Cl2FNO/c18-15-7-11(8-16(19)17(15)22)14-9-21-6-5-13(14)10-1-3-12(20)4-2-10/h1-9,22H
InChIKeyFWJNKYPUQRBACL-UHFFFAOYSA-N
MW334.18 g/mol
LogP5.57
Rot. Bonds2

About 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol

2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol (PubChem CID 122186031) has the molecular formula C17H10Cl2FNO and a molecular weight of 334.18 g/mol. Its IUPAC name is 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol
PubChem CID122186031
Molecular FormulaC17H10Cl2FNO
Molecular Weight334.18 g/mol
Exact Mass333.01
IUPAC Name2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol
SMILESOc1c(Cl)cc(-c2cnccc2-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C17H10Cl2FNO/c18-15-7-11(8-16(19)17(15)22)14-9-21-6-5-13(14)10-1-3-12(20)4-2-10/h1-9,22H
InChIKeyFWJNKYPUQRBACL-UHFFFAOYSA-N
XLogP5.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.18
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol?
The IUPAC name of 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol (CID 122186031) is 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol?
The canonical SMILES for 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol is Oc1c(Cl)cc(-c2cnccc2-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol?
The InChIKey is FWJNKYPUQRBACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FNO/c18-15-7-11(8-16(19)17(15)22)14-9-21-6-5-13(14)10-1-3-12(20)4-2-10/h1-9,22H.
What are the key properties of 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol?
2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol has a molecular weight of 334.18 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[4-(4-fluorophenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 122186031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).