(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone

C11H8ClNOS — CID 105122606

IUPAC(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H8ClNOS/c1-7-8(3-2-6-13-7)11(14)9-4-5-10(12)15-9/h2-6H,1H3
InChIKeyOZRAQGHXRYQPJS-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.34
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone

(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone (PubChem CID 105122606) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
PubChem CID105122606
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H8ClNOS/c1-7-8(3-2-6-13-7)11(14)9-4-5-10(12)15-9/h2-6H,1H3
InChIKeyOZRAQGHXRYQPJS-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

(5-chlorothiophen-2-yl)-pyridin-2-ylmethanone
CID 53401492
(4,6-dichloropyrimidin-5-yl)-(2-methyl-3-pyridinyl)methanone
CID 118997236
(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802864
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
(5-chlorothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 43338883
(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
CID 105122735
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 116597564
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 23442752
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone (CID 105122606) is (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone?
The InChIKey is OZRAQGHXRYQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7-8(3-2-6-13-7)11(14)9-4-5-10(12)15-9/h2-6H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone?
(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)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 (5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105122606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).