(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C16H14ClNO2S — CID 167849084

IUPAC(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H14ClNO2S/c17-15-6-5-14(21-15)16(20)18-9-7-12(8-10-18)11-1-3-13(19)4-2-11/h1-7,19H,8-10H2
InChIKeyLYDFKSJXXZLIIL-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.04
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 167849084) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID167849084
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H14ClNO2S/c17-15-6-5-14(21-15)16(20)18-9-7-12(8-10-18)11-1-3-13(19)4-2-11/h1-7,19H,8-10H2
InChIKeyLYDFKSJXXZLIIL-UHFFFAOYSA-N
XLogP4.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
methyl 5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)thiophene-2-carboxylate
CID 38298822
(5-nitrothiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 17393436
4-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-2H-phthalazin-1-one
CID 71943929
(5-chloro-4-iodo-2-methoxyphenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112823992
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 154759899
(5-bromo-2-iodophenyl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 112802745
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(5-chlorothiophen-2-yl)-(1,3-thiazolidin-3-yl)methanone
CID 56826373
[5-hydroxy-2-(trifluoromethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 99792639
(4-chlorophenyl)-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110802854
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 167849084) is (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is LYDFKSJXXZLIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c17-15-6-5-14(21-15)16(20)18-9-7-12(8-10-18)11-1-3-13(19)4-2-11/h1-7,19H,8-10H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 319.81 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 167849084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).