(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone

C10H6ClNOS — CID 103443291

IUPAC(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1ncccc1Cl
InChIInChI=1S/C10H6ClNOS/c11-7-3-1-5-12-9(7)10(13)8-4-2-6-14-8/h1-6H
InChIKeyHMDAQRBMTJYFRL-UHFFFAOYSA-N
MW223.68 g/mol
LogP3.03
Rot. Bonds2

About (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone

(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone (PubChem CID 103443291) has the molecular formula C10H6ClNOS and a molecular weight of 223.68 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
PubChem CID103443291
Molecular FormulaC10H6ClNOS
Molecular Weight223.68 g/mol
Exact Mass222.99
IUPAC Name(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1ncccc1Cl
InChIInChI=1S/C10H6ClNOS/c11-7-3-1-5-12-9(7)10(13)8-4-2-6-14-8/h1-6H
InChIKeyHMDAQRBMTJYFRL-UHFFFAOYSA-N
XLogP3.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
(3-chloro-2-pyridinyl)-(3-chlorothiophen-2-yl)methanone
CID 107359480
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
isoquinolin-1-yl(thiophen-2-yl)methanone
CID 4738060
3-chloropyridine-2-carbonyl chloride
CID 45081497
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
(3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone
CID 164647361
(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
CID 103443191
(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674463
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-thiophen-2-ylmethanone
CID 115512654
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone?
The IUPAC name of (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone (CID 103443291) is (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1ncccc1Cl.
What is the InChIKey of (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone?
The InChIKey is HMDAQRBMTJYFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNOS/c11-7-3-1-5-12-9(7)10(13)8-4-2-6-14-8/h1-6H.
What are the key properties of (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone?
(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone has a molecular weight of 223.68 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 103443291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).