(3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone

C11H7Cl2NOS — CID 79787027

IUPAC(3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ncc(Cl)cc2Cl)s1
InChIInChI=1S/C11H7Cl2NOS/c1-6-2-3-9(16-6)11(15)10-8(13)4-7(12)5-14-10/h2-5H,1H3
InChIKeyWWAPBTFJOLXDPP-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.99
Rot. Bonds2

About (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone

(3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 79787027) has the molecular formula C11H7Cl2NOS and a molecular weight of 272.16 g/mol. Its IUPAC name is (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone
PubChem CID79787027
Molecular FormulaC11H7Cl2NOS
Molecular Weight272.16 g/mol
Exact Mass270.96
IUPAC Name(3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ncc(Cl)cc2Cl)s1
InChIInChI=1S/C11H7Cl2NOS/c1-6-2-3-9(16-6)11(15)10-8(13)4-7(12)5-14-10/h2-5H,1H3
InChIKeyWWAPBTFJOLXDPP-UHFFFAOYSA-N
XLogP3.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone (CID 79787027) is (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2ncc(Cl)cc2Cl)s1.
What is the InChIKey of (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is WWAPBTFJOLXDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NOS/c1-6-2-3-9(16-6)11(15)10-8(13)4-7(12)5-14-10/h2-5H,1H3.
What are the key properties of (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone?
(3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 272.16 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-pyridinyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79787027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).