(4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol

C18H13ClFNO — CID 56668900

IUPAC(4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cccc(F)c1
InChIInChI=1S/C18H13ClFNO/c19-16-8-6-13(7-9-16)18(22,15-4-2-10-21-12-15)14-3-1-5-17(20)11-14/h1-12,22H
InChIKeyWJIBATPPHWPKNB-UHFFFAOYSA-N
MW313.76 g/mol
LogP4.16
Rot. Bonds3

About (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol

(4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol (PubChem CID 56668900) has the molecular formula C18H13ClFNO and a molecular weight of 313.76 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol
PubChem CID56668900
Molecular FormulaC18H13ClFNO
Molecular Weight313.76 g/mol
Exact Mass313.07
IUPAC Name(4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cccc(F)c1
InChIInChI=1S/C18H13ClFNO/c19-16-8-6-13(7-9-16)18(22,15-4-2-10-21-12-15)14-3-1-5-17(20)11-14/h1-12,22H
InChIKeyWJIBATPPHWPKNB-UHFFFAOYSA-N
XLogP4.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol (CID 56668900) is (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1cccc(F)c1.
What is the InChIKey of (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol?
The InChIKey is WJIBATPPHWPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO/c19-16-8-6-13(7-9-16)18(22,15-4-2-10-21-12-15)14-3-1-5-17(20)11-14/h1-12,22H.
What are the key properties of (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol?
(4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol has a molecular weight of 313.76 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56668900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).