4-[(4-bromophenyl)sulfinylmethyl]pyridine

C12H10BrNOS — CID 155231709

IUPAC4-[(4-bromophenyl)sulfinylmethyl]pyridine
SMILESO=S(Cc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNOS/c13-11-1-3-12(4-2-11)16(15)9-10-5-7-14-8-6-10/h1-8H,9H2
InChIKeyOEWBVXALVZUNRI-UHFFFAOYSA-N
MW296.19 g/mol
LogP3.15
Rot. Bonds3

About 4-[(4-bromophenyl)sulfinylmethyl]pyridine

4-[(4-bromophenyl)sulfinylmethyl]pyridine (PubChem CID 155231709) has the molecular formula C12H10BrNOS and a molecular weight of 296.19 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfinylmethyl]pyridine.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfinylmethyl]pyridine
PubChem CID155231709
Molecular FormulaC12H10BrNOS
Molecular Weight296.19 g/mol
Exact Mass294.97
IUPAC Name4-[(4-bromophenyl)sulfinylmethyl]pyridine
SMILESO=S(Cc1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C12H10BrNOS/c13-11-1-3-12(4-2-11)16(15)9-10-5-7-14-8-6-10/h1-8H,9H2
InChIKeyOEWBVXALVZUNRI-UHFFFAOYSA-N
XLogP3.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.19
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromophenyl)methylsulfinyl]aniline
CID 61368304
1-[(4-bromophenyl)sulfinylmethyl]-4-(trifluoromethyl)benzene
CID 175784498
4-[(4-bromophenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 64691308
4-bromopyridine
CID 67630228
4-bromopyridine;dihydrochloride
CID 141095562
4-(2-pyridin-4-ylethylsulfinyl)aniline
CID 61368681
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
5-(4-bromophenyl)sulfinylpentan-1-amine
CID 81328453
1-bromo-4-[(S)-butylsulfinyl]benzene
CID 124588146
1-tert-butyl-4-[(4-tert-butylphenyl)sulfinylmethyl]benzene
CID 102104954
[4-[(4-bromophenyl)sulfinylmethyl]-2-methoxyphenyl]methanamine
CID 106794490
2-(4-bromophenyl)sulfinylacetamide
CID 130650723

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfinylmethyl]pyridine?
The IUPAC name of 4-[(4-bromophenyl)sulfinylmethyl]pyridine (CID 155231709) is 4-[(4-bromophenyl)sulfinylmethyl]pyridine.
What is the SMILES notation for 4-[(4-bromophenyl)sulfinylmethyl]pyridine?
The canonical SMILES for 4-[(4-bromophenyl)sulfinylmethyl]pyridine is O=S(Cc1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)sulfinylmethyl]pyridine?
The InChIKey is OEWBVXALVZUNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNOS/c13-11-1-3-12(4-2-11)16(15)9-10-5-7-14-8-6-10/h1-8H,9H2.
What are the key properties of 4-[(4-bromophenyl)sulfinylmethyl]pyridine?
4-[(4-bromophenyl)sulfinylmethyl]pyridine has a molecular weight of 296.19 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfinylmethyl]pyridine is sourced from PubChem (CID 155231709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).