(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone

C10H5BrFNOS — CID 104737850

IUPAC(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccc(Br)s1)c1ccncc1F
InChIInChI=1S/C10H5BrFNOS/c11-9-2-1-8(15-9)10(14)6-3-4-13-5-7(6)12/h1-5H
InChIKeyGCEDPNWTZKXRFC-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.28
Rot. Bonds2

About (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone

(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 104737850) has the molecular formula C10H5BrFNOS and a molecular weight of 286.12 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID104737850
Molecular FormulaC10H5BrFNOS
Molecular Weight286.12 g/mol
Exact Mass284.93
IUPAC Name(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccc(Br)s1)c1ccncc1F
InChIInChI=1S/C10H5BrFNOS/c11-9-2-1-8(15-9)10(14)6-3-4-13-5-7(6)12/h1-5H
InChIKeyGCEDPNWTZKXRFC-UHFFFAOYSA-N
XLogP3.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluoro-4-pyridinyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782609
(5-bromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514263
(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 105398296
(5-bromofuran-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 130643801
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115802142
(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
CID 114641961
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 114700584
(3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone
CID 104737946
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
(5-bromothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782498
(3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 130529576

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone (CID 104737850) is (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccc(Br)s1)c1ccncc1F.
What is the InChIKey of (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is GCEDPNWTZKXRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNOS/c11-9-2-1-8(15-9)10(14)6-3-4-13-5-7(6)12/h1-5H.
What are the key properties of (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone?
(5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 286.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 104737850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).