(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol

C14H14BrNOS — CID 113355459

IUPAC(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Sc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H14BrNOS/c1-2-14(17)13-8-7-12(9-16-13)18-11-5-3-10(15)4-6-11/h3-9,14,17H,2H2,1H3/t14-/m0/s1
InChIKeyRQNSZSGVHZPPFW-AWEZNQCLSA-N
MW324.24 g/mol
LogP4.44
Rot. Bonds4

About (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol

(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol (PubChem CID 113355459) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
PubChem CID113355459
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Sc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H14BrNOS/c1-2-14(17)13-8-7-12(9-16-13)18-11-5-3-10(15)4-6-11/h3-9,14,17H,2H2,1H3/t14-/m0/s1
InChIKeyRQNSZSGVHZPPFW-AWEZNQCLSA-N
XLogP4.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939372
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939384
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol
CID 112586571
1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586546
(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol
CID 113355469
2-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355458

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol (CID 113355459) is (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(Sc2ccc(Br)cc2)cn1.
What is the InChIKey of (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The InChIKey is RQNSZSGVHZPPFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-2-14(17)13-8-7-12(9-16-13)18-11-5-3-10(15)4-6-11/h3-9,14,17H,2H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol has a molecular weight of 324.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 113355459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).