2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol

C18H15Cl2NOS — CID 70510984

IUPAC2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol
SMILESOC(c1cccnc1)C(Cc1cccs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2NOS/c19-13-5-6-15(17(20)9-13)16(10-14-4-2-8-23-14)18(22)12-3-1-7-21-11-12/h1-9,11,16,18,22H,10H2
InChIKeyKLAXTEIMCTZWDN-UHFFFAOYSA-N
MW364.30 g/mol
LogP5.51
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol

2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol (PubChem CID 70510984) has the molecular formula C18H15Cl2NOS and a molecular weight of 364.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol
PubChem CID70510984
Molecular FormulaC18H15Cl2NOS
Molecular Weight364.30 g/mol
Exact Mass363.03
IUPAC Name2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol
SMILESOC(c1cccnc1)C(Cc1cccs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2NOS/c19-13-5-6-15(17(20)9-13)16(10-14-4-2-8-23-14)18(22)12-3-1-7-21-11-12/h1-9,11,16,18,22H,10H2
InChIKeyKLAXTEIMCTZWDN-UHFFFAOYSA-N
XLogP5.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.30
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1,3-dipyridin-3-ylpropan-1-ol
CID 70510374
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
2-[2-chloro-2-(2,5-dichlorophenyl)ethyl]thiophene
CID 63520249
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799
1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43503382
3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine
CID 54170361
1-phenyl-3-thiophen-2-ylpropane-1,2-diol
CID 103459541
1-[2-(2,4-dichlorophenyl)-2-(thiophen-2-ylmethoxy)ethyl]imidazole;hydrochloride
CID 21393926
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
1-[1-(2,4-dichlorophenyl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111026517

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol (CID 70510984) is 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol is OC(c1cccnc1)C(Cc1cccs1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol?
The InChIKey is KLAXTEIMCTZWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NOS/c19-13-5-6-15(17(20)9-13)16(10-14-4-2-8-23-14)18(22)12-3-1-7-21-11-12/h1-9,11,16,18,22H,10H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol?
2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol has a molecular weight of 364.30 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 70510984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).