(4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol

C17H14ClN3OS — CID 56676010

IUPAC(4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESCSc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1
InChIInChI=1S/C17H14ClN3OS/c1-23-16-20-10-14(11-21-16)17(22,13-3-2-8-19-9-13)12-4-6-15(18)7-5-12/h2-11,22H,1H3
InChIKeyFXZJJEHTFYJGSJ-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.53
Rot. Bonds4

About (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol

(4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol (PubChem CID 56676010) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol
PubChem CID56676010
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name(4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESCSc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1
InChIInChI=1S/C17H14ClN3OS/c1-23-16-20-10-14(11-21-16)17(22,13-3-2-8-19-9-13)12-4-6-15(18)7-5-12/h2-11,22H,1H3
InChIKeyFXZJJEHTFYJGSJ-UHFFFAOYSA-N
XLogP3.53
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol (CID 56676010) is (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol is CSc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1.
What is the InChIKey of (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol?
The InChIKey is FXZJJEHTFYJGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-23-16-20-10-14(11-21-16)17(22,13-3-2-8-19-9-13)12-4-6-15(18)7-5-12/h2-11,22H,1H3.
What are the key properties of (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol?
(4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol has a molecular weight of 343.84 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-methylsulfanylpyrimidin-5-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56676010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).