[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol

C11H15ClN2OS — CID 61419845

IUPAC[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol
SMILESOCc1nc(N2CCCSCC2)ccc1Cl
InChIInChI=1S/C11H15ClN2OS/c12-9-2-3-11(13-10(9)8-15)14-4-1-6-16-7-5-14/h2-3,15H,1,4-8H2
InChIKeyPLFOHBFLKDOABR-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.17
Rot. Bonds2

About [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol

[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol (PubChem CID 61419845) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol
PubChem CID61419845
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol
SMILESOCc1nc(N2CCCSCC2)ccc1Cl
InChIInChI=1S/C11H15ClN2OS/c12-9-2-3-11(13-10(9)8-15)14-4-1-6-16-7-5-14/h2-3,15H,1,4-8H2
InChIKeyPLFOHBFLKDOABR-UHFFFAOYSA-N
XLogP2.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1,4-thiazepan-4-yl)pyridazin-3-yl]methanol
CID 61419204
[3-chloro-6-(4-propylpiperazin-1-yl)-2-pyridinyl]methanol
CID 61256440
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107228582
1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 62943778
4-(6-chloropyridazin-3-yl)-1,4-thiazepane
CID 61423484
2-[1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]oxyethanol
CID 82691588
[3-chloro-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanol
CID 114412403
4-[6-(chloromethyl)pyridazin-3-yl]-1,4-thiazepane
CID 61419469
N-[(3-chloro-6-pyrrolidin-1-yl-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55054651
6-(1,4-thiazepan-4-yl)pyridine-3-carbaldehyde
CID 80638677
[3-chloro-6-(1,1-dioxo-1,4-thiazepan-4-yl)-2-pyridinyl]methanamine
CID 114083738
[6-(8-azaspiro[4.5]decan-8-yl)-3-chloro-2-pyridinyl]methanamine
CID 55158910

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol (CID 61419845) is [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol is OCc1nc(N2CCCSCC2)ccc1Cl.
What is the InChIKey of [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol?
The InChIKey is PLFOHBFLKDOABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c12-9-2-3-11(13-10(9)8-15)14-4-1-6-16-7-5-14/h2-3,15H,1,4-8H2.
What are the key properties of [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol?
[3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol has a molecular weight of 258.77 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(1,4-thiazepan-4-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 61419845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).