(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone

C11H8ClNOS — CID 105106195

IUPAC(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccncc2Cl)cs1
InChIInChI=1S/C11H8ClNOS/c1-7-4-8(6-15-7)11(14)9-2-3-13-5-10(9)12/h2-6H,1H3
InChIKeyHAFTZLLKVXZNTB-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.34
Rot. Bonds2

About (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone

(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 105106195) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
PubChem CID105106195
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccncc2Cl)cs1
InChIInChI=1S/C11H8ClNOS/c1-7-4-8(6-15-7)11(14)9-2-3-13-5-10(9)12/h2-6H,1H3
InChIKeyHAFTZLLKVXZNTB-UHFFFAOYSA-N
XLogP3.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-3-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 114877477
(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(3-chloro-4-pyridinyl)-(6-methyl-3-pyridinyl)methanone
CID 105098887
(3-chloro-4-pyridinyl)-(3,5-difluorophenyl)methanone
CID 105095200
(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976016
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 105131453
(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 12750547
(2-methylphenyl)-(5-methylthiophen-3-yl)methanone
CID 65099870

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone (CID 105106195) is (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccncc2Cl)cs1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is HAFTZLLKVXZNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7-4-8(6-15-7)11(14)9-2-3-13-5-10(9)12/h2-6H,1H3.
What are the key properties of (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone?
(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 237.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 105106195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).