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

C11H8ClNO2S — CID 115793411

IUPAC(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2sccc2Cl)c1
InChIInChI=1S/C11H8ClNO2S/c1-15-8-4-7(5-13-6-8)10(14)11-9(12)2-3-16-11/h2-6H,1H3
InChIKeyNLTQXNHQJMNLDM-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.04
Rot. Bonds3

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

(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone (PubChem CID 115793411) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
PubChem CID115793411
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2sccc2Cl)c1
InChIInChI=1S/C11H8ClNO2S/c1-15-8-4-7(5-13-6-8)10(14)11-9(12)2-3-16-11/h2-6H,1H3
InChIKeyNLTQXNHQJMNLDM-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)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
CID 115793680
(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116609838
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116581855
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 80529913
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone
CID 107361601
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 80530097
(2-iodophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793494

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone (CID 115793411) is (3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone is COc1cncc(C(=O)c2sccc2Cl)c1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is NLTQXNHQJMNLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S/c1-15-8-4-7(5-13-6-8)10(14)11-9(12)2-3-16-11/h2-6H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone?
(3-chlorothiophen-2-yl)-(5-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)-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115793411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).