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

C17H14ClNOS — CID 56665590

IUPAC(4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol
SMILESCc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)s1
InChIInChI=1S/C17H14ClNOS/c1-12-4-9-16(21-12)17(20,14-3-2-10-19-11-14)13-5-7-15(18)8-6-13/h2-11,20H,1H3
InChIKeyJBDNBDMXDDUNNA-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.39
Rot. Bonds3

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

(4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol (PubChem CID 56665590) has the molecular formula C17H14ClNOS and a molecular weight of 315.83 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol
PubChem CID56665590
Molecular FormulaC17H14ClNOS
Molecular Weight315.83 g/mol
Exact Mass315.05
IUPAC Name(4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol
SMILESCc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)s1
InChIInChI=1S/C17H14ClNOS/c1-12-4-9-16(21-12)17(20,14-3-2-10-19-11-14)13-5-7-15(18)8-6-13/h2-11,20H,1H3
InChIKeyJBDNBDMXDDUNNA-UHFFFAOYSA-N
XLogP4.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol (CID 56665590) is (4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol is Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cccnc2)s1.
What is the InChIKey of (4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol?
The InChIKey is JBDNBDMXDDUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNOS/c1-12-4-9-16(21-12)17(20,14-3-2-10-19-11-14)13-5-7-15(18)8-6-13/h2-11,20H,1H3.
What are the key properties of (4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol?
(4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol has a molecular weight of 315.83 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56665590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).