(4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol

C16H11ClFNOS — CID 56662427

IUPAC(4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
SMILESOC(c1cccnc1)(c1cccs1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H11ClFNOS/c17-12-5-6-13(14(18)9-12)16(20,15-4-2-8-21-15)11-3-1-7-19-10-11/h1-10,20H
InChIKeyXWDDVCNYKCVQNS-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.22
Rot. Bonds3

About (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol

(4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol (PubChem CID 56662427) has the molecular formula C16H11ClFNOS and a molecular weight of 319.79 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
PubChem CID56662427
Molecular FormulaC16H11ClFNOS
Molecular Weight319.79 g/mol
Exact Mass319.02
IUPAC Name(4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
SMILESOC(c1cccnc1)(c1cccs1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H11ClFNOS/c17-12-5-6-13(14(18)9-12)16(20,15-4-2-8-21-15)11-3-1-7-19-10-11/h1-10,20H
InChIKeyXWDDVCNYKCVQNS-UHFFFAOYSA-N
XLogP4.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(5-Chloro-2-thienyl)pyridin-4-yl]phenol
CID 46887579
(4-Chlorophenyl)-pyridin-3-yl-(1,3-thiazol-2-yl)methanol
CID 56658916
(4-Chlorophenyl)-(2-chloro-1,3-thiazol-5-yl)-pyridin-3-ylmethanol
CID 56658919
(4-Chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol
CID 56665868
(4-Chlorophenyl)-(3-fluorophenyl)-pyridin-3-ylmethanol
CID 56668900
(4-Chlorophenyl)-(2-fluorophenyl)-pyridin-3-ylmethanol
CID 56669183
(4-Chlorophenyl)-(2,4-difluorophenyl)-pyridin-3-ylmethanol
CID 56675888
(4-Chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
CID 56679338
(4-Chloro-2-fluorophenyl)-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 56679447
(4-Chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol
CID 56682527
Bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol
CID 56682755
(2-Amino-1,3-thiazol-5-yl)-(4-chlorophenyl)-pyridin-3-ylmethanol
CID 57522460

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol (CID 56662427) is (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol is OC(c1cccnc1)(c1cccs1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
The InChIKey is XWDDVCNYKCVQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNOS/c17-12-5-6-13(14(18)9-12)16(20,15-4-2-8-21-15)11-3-1-7-19-10-11/h1-10,20H.
What are the key properties of (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol?
(4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol has a molecular weight of 319.79 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol is sourced from PubChem (CID 56662427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).