(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone

C10H5ClFNOS — CID 115802142

IUPAC(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)c1sccc1Cl
InChIInChI=1S/C10H5ClFNOS/c11-7-2-4-15-10(7)9(14)6-1-3-13-5-8(6)12/h1-5H
InChIKeyMQGVUKFPAQCEJR-UHFFFAOYSA-N
MW241.67 g/mol
LogP3.17
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone

(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 115802142) has the molecular formula C10H5ClFNOS and a molecular weight of 241.67 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID115802142
Molecular FormulaC10H5ClFNOS
Molecular Weight241.67 g/mol
Exact Mass240.98
IUPAC Name(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)c1sccc1Cl
InChIInChI=1S/C10H5ClFNOS/c11-7-2-4-15-10(7)9(14)6-1-3-13-5-8(6)12/h1-5H
InChIKeyMQGVUKFPAQCEJR-UHFFFAOYSA-N
XLogP3.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanone
CID 80644952
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone
CID 107359322
(3-chlorothiophen-2-yl)-pyridazin-4-ylmethanone
CID 107361601
N-(3-amino-4-pyridinyl)-3-chlorothiophene-2-carboxamide
CID 80644738
(2-bromo-4-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 107987212
(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
CID 104737850
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methanone
CID 107361591
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
(3-chlorothiophen-2-yl)-(5-methylpyrimidin-2-yl)methanone
CID 107359425
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone (CID 115802142) is (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is MQGVUKFPAQCEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNOS/c11-7-2-4-15-10(7)9(14)6-1-3-13-5-8(6)12/h1-5H.
What are the key properties of (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone?
(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 241.67 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 115802142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).