(4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

C11H7ClF3NOS — CID 102707391

IUPAC(4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cc(Cl)cs1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H7ClF3NOS/c12-6-3-9(18-5-6)10(17)7-4-16-2-1-8(7)11(13,14)15/h1-5,10,17H
InChIKeyNIUAFQOGNMKNLL-UHFFFAOYSA-N
MW293.70 g/mol
LogP3.90
Rot. Bonds2

About (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol

(4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 102707391) has the molecular formula C11H7ClF3NOS and a molecular weight of 293.70 g/mol. Its IUPAC name is (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID102707391
Molecular FormulaC11H7ClF3NOS
Molecular Weight293.70 g/mol
Exact Mass292.99
IUPAC Name(4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cc(Cl)cs1)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H7ClF3NOS/c12-6-3-9(18-5-6)10(17)7-4-16-2-1-8(7)11(13,14)15/h1-5,10,17H
InChIKeyNIUAFQOGNMKNLL-UHFFFAOYSA-N
XLogP3.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol (CID 102707391) is (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1cc(Cl)cs1)c1cnccc1C(F)(F)F.
What is the InChIKey of (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is NIUAFQOGNMKNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NOS/c12-6-3-9(18-5-6)10(17)7-4-16-2-1-8(7)11(13,14)15/h1-5,10,17H.
What are the key properties of (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol?
(4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 293.70 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothiophen-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 102707391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).