[2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol

C18H16ClNOS — CID 24745420

IUPAC[2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol
SMILESCc1sc(-c2cccc(Cl)c2)c(C(O)c2cccnc2)c1C
InChIInChI=1S/C18H16ClNOS/c1-11-12(2)22-18(13-5-3-7-15(19)9-13)16(11)17(21)14-6-4-8-20-10-14/h3-10,17,21H,1-2H3
InChIKeyLWCKBCGXMDMADT-UHFFFAOYSA-N
MW329.85 g/mol
LogP5.16
Rot. Bonds3

About [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol

[2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol (PubChem CID 24745420) has the molecular formula C18H16ClNOS and a molecular weight of 329.85 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol
PubChem CID24745420
Molecular FormulaC18H16ClNOS
Molecular Weight329.85 g/mol
Exact Mass329.06
IUPAC Name[2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol
SMILESCc1sc(-c2cccc(Cl)c2)c(C(O)c2cccnc2)c1C
InChIInChI=1S/C18H16ClNOS/c1-11-12(2)22-18(13-5-3-7-15(19)9-13)16(11)17(21)14-6-4-8-20-10-14/h3-10,17,21H,1-2H3
InChIKeyLWCKBCGXMDMADT-UHFFFAOYSA-N
XLogP5.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.85
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463418
[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane
CID 143495031
(4-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 79428213
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
[2,4-bis(2,4-dichlorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 24745417
[4-(4-chloro-2-fluorophenyl)-1-methyl-2-(3-methylphenyl)pyrrol-3-yl]-pyridin-3-ylmethanol
CID 90836295
[3-(4-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883255
(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol
CID 114980240
(2,4-diphenylthiophen-3-yl)-pyridin-3-ylmethanol
CID 24745262
[4-(2,4-dichlorophenyl)-2-thiophen-3-ylthiophen-3-yl]-pyridin-3-ylmethanol
CID 58463365
[5-(3-chlorophenyl)-3-(2,4-difluorophenyl)-2,3-dihydrothiophen-4-yl]-pyridin-3-ylmethanol
CID 70883193
[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675031

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol (CID 24745420) is [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol is Cc1sc(-c2cccc(Cl)c2)c(C(O)c2cccnc2)c1C.
What is the InChIKey of [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol?
The InChIKey is LWCKBCGXMDMADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNOS/c1-11-12(2)22-18(13-5-3-7-15(19)9-13)16(11)17(21)14-6-4-8-20-10-14/h3-10,17,21H,1-2H3.
What are the key properties of [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol?
[2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol has a molecular weight of 329.85 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 24745420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).