(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone

C11H8ClNO2S — CID 107361591

IUPAC(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)c1sccc1Cl
InChIInChI=1S/C11H8ClNO2S/c1-15-11-7(3-2-5-13-11)9(14)10-8(12)4-6-16-10/h2-6H,1H3
InChIKeyKZUGWCWJYVVSFM-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.04
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone

(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone (PubChem CID 107361591) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
PubChem CID107361591
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)c1sccc1Cl
InChIInChI=1S/C11H8ClNO2S/c1-15-11-7(3-2-5-13-11)9(14)10-8(12)4-6-16-10/h2-6H,1H3
InChIKeyKZUGWCWJYVVSFM-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone
CID 107359322
(3-chloro-2-pyridinyl)-(3-chlorothiophen-2-yl)methanone
CID 107359480
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 80530097
methyl 2-(2-methoxypyridine-3-carbonyl)benzoate
CID 24723742
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434981
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone
CID 105130385
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 62876172
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone (CID 107361591) is (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is KZUGWCWJYVVSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c1-15-11-7(3-2-5-13-11)9(14)10-8(12)4-6-16-10/h2-6H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone?
(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 253.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 107361591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).